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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
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 SCHEMBL11512881 | 1.00 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL4100104 | 0.91 | KDM4E (0.53) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL3865289 | 0.91 | KDM4E (0.53) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL21519559 | 0.90 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5703111 | 0.89 | KDM4E (0.52) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5703115 | 0.89 | KDM4E (0.52) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL917457 | 0.86 | MEN1 (0.61) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL917458 | 0.86 | MEN1 (0.61) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL917020 | 0.85 | PLK1 (0.41) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL917018 | 0.85 | PLK1 (0.41) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 |
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-4139555-A | Recovery of (1-S)-2-oxo-bornane-10-sulphonate | BAYER AKTIENGESELLSCHAFT (DE) | 1979-02-13 | — | — | US | disclosed |