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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 5/20 | 0.46 |
| ▸ | ESR2 known ✓ | Q92731 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.52 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | F13A1 | P00488 | 1/20 | 0.47 |
| ▸ | FNTA | P49354 | 1/20 | 0.47 |
| ▸ | FNTB | P49356 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL537078 | 0.85 | — | — | |
| Formaldehyde SCHEMBL27783909 | 0.83 | ESR1 (0.50) | CA2CAMK2ACA1KDM4EFNTA | |
| Hydrochloric Acid SCHEMBL7396496 | 0.83 | ESR1 (0.55) | CA2CAMK2ACA1KDM4EESR1 | |
| SCHEMBL28741656 | 0.83 | ESR1 (0.55) | CA2CAMK2ACA1KDM4EESR1 | |
| SCHEMBL27831074 | 0.83 | CA2 (0.45) | CA2CAMK2ACA1KDM4EF13A1 | |
| Acetaldehyde SCHEMBL5594859 | 0.82 | ESR1 (0.44) | CA2CAMK2ACA1ESR1ESR2 | |
| (Chloromethyl)Benzene SCHEMBL27410445 | 0.81 | ALDH1A1 (0.52) | CA2SLC7A5CA1MEN1KMT2A | |
| SCHEMBL8414299 | 0.80 | LMNA (0.65) | CA2CAMK2ACA1ESR1ESR2 | |
| Hydroquinone SCHEMBL2505159 | 0.80 | CA2 (0.58) | CA2CAMK2ACA1KDM4EESR1 | |
| Hydroquinone SCHEMBL1746628 | 0.80 | CA2 (0.58) | CA2CAMK2ACA1KDM4EESR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120178743-A1 | NOVEL ADENINE COMPOUND AND USE THEREOF | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-07-12 | — | — | US | disclosed |
| EP-1550662-B1 | ADENINE COMPOUND AND USE THEREOF | DAINIPPON SUMITOMO PHARMA CO (JP) | 2012-07-04 | — | — | EP | disclosed |
| US-8148371-B2 | Adenine compound and use thereof | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-04-03 | — | — | US | disclosed |
| US-20100256118-A1 | NOVEL ADENINE COMPOUND AND USE THEREOF | DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) | 2010-10-07 | — | — | US | disclosed |
| US-7754728-B2 | Adenine compound and use thereof | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2010-07-13 | — | — | US | disclosed |
| US-20060052403-A1 | Novel adenine compound and use thereof | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2006-03-09 | — | — | US | disclosed |
| EP-1550662-A1 | NOVEL ADENINE COMPOUND AND USE THEREOF | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2005-07-06 | — | — | 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 (3 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-20100256118-A1 | NOVEL ADENINE COMPOUND AND USE THEREOF | ADORA1, P2RY10, HRH4 | ESR1 434/4885ESR2 1267/4885CA2 711/4885 |
| US-20060052403-A1 | Novel adenine compound and use thereof | ADORA1, P2RY10, HRH4 | ESR1 434/4885ESR2 1267/4885CA2 711/4885 |
| US-20120178743-A1 | NOVEL ADENINE COMPOUND AND USE THEREOF | ADORA1, HRH4, P2RY10 | ESR1 609/4885ESR2 1301/4885CA2 679/4885 |
“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.