Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 4/20 | 0.54 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3889924 | 1.00 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL3142612 | 1.00 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL1076750 | 1.00 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL30662640 | 1.00 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL21332588 | 0.97 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL7629010 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL158139 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL8050008 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL6135660 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL28563070 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4052760-B1 | PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME | FUJIFILM CORP (JP) | 2024-03-13 | — | — | EP | disclosed |
| EP-4190402-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF | FUJIFILM Corporation (JP) | 2023-06-07 | — | — | EP | disclosed |
| US-20230167074-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF | FUJIFILM CORPORATION (JP) | 2023-06-01 | — | — | US | disclosed |
| EP-3042900-B1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-09-23 | — | — | EP | disclosed |
| EP-2799431-B1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORP (JP) | 2018-01-24 | — | — | EP | disclosed |
| US-9586951-B2 | Morpholine derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2017-03-07 | — | — | US | disclosed |
| EP-2727920-B1 | 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF | FUJIFILM CORP (JP) | 2016-11-02 | — | — | EP | disclosed |
| EP-3042900-A1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | Fujifilm Corporation (JP) | 2016-07-13 | — | — | EP | disclosed |
| US-20160168139-A1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2016-06-16 | — | — | US | disclosed |
| US-9051310-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2015-06-09 | — | — | US | disclosed |
| US-7951963-B2 | Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2011-05-31 | — | — | US | disclosed |
| US-20110098484-A1 | PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2011-04-28 | — | — | US | disclosed |
| EP-2248809-A1 | Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives | TOYAMA CHEMICAL CO., LTD. (JP) | 2010-11-10 | — | — | EP | disclosed |
| EP-2210884-A2 | Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid and 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol as well as salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2010-07-28 | — | — | EP | disclosed |
| US-20090240052-A1 | NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2009-09-24 | — | — | US | disclosed |
| US-20090105474-A1 | NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2009-04-23 | — | — | US | disclosed |
| US-20090069576-A1 | PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD (JP) | 2009-03-12 | — | — | US | disclosed |
| EP-1864978-A1 | PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2007-12-12 | — | — | EP | disclosed |
| EP-1860098-A1 | NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2007-11-28 | — | — | EP | disclosed |
| EP-1820795-A1 | NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2007-08-22 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090069576-A1 | PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF | PMP22, ACOX1, PAOX | ESR1 4370/4885ESR2 4174/4885CYP3A4 2544/4885 |
| US-20110098484-A1 | PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF | PMP22, ACOX1, PAOX | ESR1 4370/4885ESR2 4174/4885CYP3A4 2544/4885 |
| US-20230167074-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF | DHRS9, DHODH, CBR1 | ESR1 4137/4885ESR2 3951/4885CYP3A4 942/4885 |
| US-20160168139-A1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | PRMT7, RBBP7, RER1 | ESR1 3779/4885ESR2 2361/4885CYP3A4 3441/4885 |
| US-20090240052-A1 | NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF | MMP13, MMP26, MMP11 | ESR1 3229/4885ESR2 3421/4885CYP3A4 1614/4885 |
| US-20090105474-A1 | NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF | MMP13, MMP11, MMP3 | ESR1 4066/4885ESR2 3735/4885CYP3A4 2268/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.