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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2780606 | 0.94 | NPC1 (0.54) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Acetic Acid SCHEMBL2779355 | 0.88 | NPC1 (0.51) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Acetic Acid SCHEMBL2782375 | 0.86 | HCRTR1 (0.44) | KMT2AMEN1ALDH1A1LMNATP53 | |
| Acetic Acid SCHEMBL2783649 | 0.85 | NPC1 (0.53) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Acetic Acid SCHEMBL2778260 | 0.85 | MAPK1 (0.44) | MAPK10MAPK1 | |
| SCHEMBL2778791 | 0.82 | MAPK10 (0.47) | NPC1RAB9AKMT2AMEN1MAPK10 | |
| SCHEMBL2782729 | 0.82 | NPC1 (0.56) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL2782439 | 0.82 | NPC1 (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2MAPK10 | |
| SCHEMBL2778474 | 0.80 | MAPK1 (0.44) | NPC1KMT2AMEN1ALDH1A1LMNA | |
| Acetic Acid SCHEMBL2782764 | 0.79 | GFER (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1 |
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 | NPC1 2234/4885RAB9A 1031/4885KMT2A 4384/4885 |
“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.