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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 2/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 6/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2781461 | 0.94 | NTRK1 (0.41) | NTRK1RIPK1PPARGEPHX2ALOX5 | |
| Acetic Acid SCHEMBL2785459 | 0.88 | NR3C2 (0.46) | — | |
| Acetic Acid SCHEMBL2781484 | 0.87 | LMNA (0.42) | MAPK1 | |
| Acetic Acid SCHEMBL2781445 | 0.86 | TAS1R3 (0.41) | RIPK1MAPK1 | |
| SCHEMBL2778559 | 0.83 | ALDH1A1 (0.44) | MAPK1 | |
| SCHEMBL2779423 | 0.81 | LMNA (0.41) | MAPK1 | |
| Acetic Acid SCHEMBL2780357 | 0.80 | RXFP1 (0.39) | RIPK1ADORA2AADORA2BROCK2 | |
| SCHEMBL2783502 | 0.80 | TAS1R3 (0.40) | RIPK1MAPK1 | |
| Acetic Acid SCHEMBL2782085 | 0.79 | GRM5 (0.38) | RIPK1ADORA2AADORA2BROCK2 | |
| SCHEMBL2779417 | 0.79 | NTRK1 (0.42) | NTRK1RIPK1PPARGEPHX2HDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9296697-B2 | Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors | ABBOTT LABORATORIES (US) | 2016-03-29 | — | — | US | disclosed |
| US-20100184787-A1 | Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2010-07-22 | — | — | US | 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 (1 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-20100184787-A1 | Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors | HTR5A, HTR2C, HTR1E | NTRK1 228/4885RIPK1 2855/4885PPARG 2245/4885 |
“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.