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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
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 SCHEMBL7771699 | 1.00 | KMT2A (0.55) | KMT2AHTTGRM5HTR7MAPT | |
| SCHEMBL29876153 | 0.91 | HTR7 (0.60) | KMT2AHTTGRM5HTR7MAPT | |
| SCHEMBL113133 | 0.91 | HTR7 (0.60) | KMT2AHTTGRM5HTR7MAPT | |
| Hydrochloric Acid SCHEMBL15821250 | 0.90 | MAPT (0.59) | KMT2AHTTGRM5HTR7MAPT | |
| Hydrochloric Acid SCHEMBL29947196 | 0.90 | MAPT (0.59) | KMT2AHTTGRM5HTR7MAPT | |
| Trifluoroacetic Acid SCHEMBL8814421 | 0.88 | MAPT (0.53) | KMT2AHTTGRM5HTR7MAPT | |
| SCHEMBL3055471 | 0.85 | MAPT (0.60) | KMT2AHTTHTR7MAPTALDH1A1 | |
| SCHEMBL18600525 | 0.83 | MAPT (0.47) | KMT2AHTTHTR7MAPTALDH1A1 | |
| SCHEMBL19888716 | 0.82 | HTT (0.51) | KMT2AHTTHTR7MAPTALDH1A1 | |
| SCHEMBL27608018 | 0.82 | HTT (0.52) | KMT2AHTTGRM5HTR7MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115720-B1 | NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | SOD CONSEILS RECH APPLIC (FR) | 2008-07-02 | — | — | EP | disclosed |
| CN-1144799-C | N-(iminomethyl) amine derivatives, their preparation, their use as medicines and compositions containing them | ��ѧ�о���Ӧ����ѯ��˾ | 2004-04-07 | — | — | CN | disclosed |
| CN-1335841-A | N- (iminomethyl) amine derivatives, their preparation, their use as medicaments and pharmaceutical compositions containing them | SOD CONSEILS RECH APPLIC (FR) | 2002-02-13 | — | — | CN | disclosed |