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 | 0.47 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | APAF1 | O14727 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
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 SCHEMBL30839310 | 0.90 | ALDH1A1 (0.68) | ALDH1A1CA2RXRARXRBPLK1 | |
| SCHEMBL28148524 | 0.87 | ALDH1A1 (0.64) | ALDH1A1CA2BLMMEN1KMT2A | |
| SCHEMBL28713 | 0.87 | — | — | |
| Formaldehyde SCHEMBL305075 | 0.85 | ALDH1A1 (0.57) | ALDH1A1CA2CAMK2ABLMMEN1 | |
| Water SCHEMBL28098300 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CA2BLMMEN1KMT2A | |
| SCHEMBL27541364 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CA2BLMMEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL265238 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CA2BLMMEN1KMT2A | |
| Ethane SCHEMBL16114596 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CA2BLMMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7071404 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CA2BLMMEN1KMT2A | |
| SCHEMBL27587206 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CA2BLMMEN1KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200129631-A1 | PYRROLOQUINOLIN COMPOUNDS AND METHODS OF USING SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2020-04-30 | — | — | US | claimed |
| CN-107011133-B | Method for directly oxidizing benzylic C-H bond into ketone | 中国科学技术大学 | 2020-01-03 | — | — | CN | claimed |
| WO-2018170019-A1 | PYRROLOQUINOLIN COMPOUNDS AND METHODS OF USING SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-09-20 | — | — | WO | claimed |
| CN-115611692-A | Synthetic method of fluorine-containing compound | 凯莱英医药集团（天津）股份有限公司 | 2023-01-17 | — | — | CN | disclosed |
| US-11020488-B2 | Pyrroloquinolin compounds and methods of using same | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-06-01 | — | — | US | disclosed |
| CN-109265343-B | Preparation method of diphenyl carbonate compound | 中国石油化工股份有限公司 | 2021-04-13 | — | — | CN | disclosed |
| US-20200129631-A1 | PYRROLOQUINOLIN COMPOUNDS AND METHODS OF USING SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2020-04-30 | — | — | US | disclosed |
| CN-107011133-B | Method for directly oxidizing benzylic C-H bond into ketone | 中国科学技术大学 | 2020-01-03 | — | — | CN | disclosed |
| WO-2018170019-A1 | PYRROLOQUINOLIN COMPOUNDS AND METHODS OF USING SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-09-20 | — | — | WO | 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 (2 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-11020488-B2 | Pyrroloquinolin compounds and methods of using same | POLQ, SYNCRIP, PCNA | ESR1 4110/4885ESR2 3360/4885ALDH1A1 1739/4885 |
| US-20200129631-A1 | PYRROLOQUINOLIN COMPOUNDS AND METHODS OF USING SAME | POLQ, SYNCRIP, PCNA | ESR1 4110/4885ESR2 3360/4885ALDH1A1 1739/4885 |
“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.