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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.61 |
| ▸ | RAB9A | P51151 | 7/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
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 SCHEMBL9317240 | 0.96 | NPC1 (0.61) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| Acetic Acid SCHEMBL9318268 | 0.89 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| Acetic Acid SCHEMBL9317237 | 0.89 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| Succinic Acid SCHEMBL9316978 | 0.86 | NPC1 (0.53) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| Benzoic Acid SCHEMBL9317253 | 0.86 | NPC1 (0.56) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| SCHEMBL557621 | 0.84 | NPC1 (0.73) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| Glutarate SCHEMBL9317226 | 0.83 | NPC1 (0.50) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| Acetic Acid SCHEMBL9470145 | 0.83 | GAA (0.72) | NPC1RAB9ASMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL9317189 | 0.82 | NPC1 (0.70) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| SCHEMBL9317188 | 0.82 | NPC1 (0.70) | NPC1RAB9AHPGDSMN1; SMN2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5354514-A | Heating mixture of thioamide compound and copper- or lead-containing compound | JUJO PAPER CO., LTD. (JP) | 1994-10-11 | — | — | US | disclosed |