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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2028309 | 0.87 | ALDH1A1 (0.53) | CYP3A4USP2MAPK1SMN1; SMN2ERN1 | |
| Tromethamine SCHEMBL4283712 | 0.85 | CYP3A4 (0.41) | CYP3A4USP2MAPK1SMN1; SMN2LMNA | |
| Acetic Acid SCHEMBL4282570 | 0.78 | CYP3A4 (0.50) | CYP3A4USP2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL16471456 | 0.77 | LMNA (0.67) | CYP3A4SMN1; SMN2LMNAKMT2AALDH1A1 | |
| SCHEMBL2029772 | 0.74 | CYP3A4 (0.78) | CYP3A4USP2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL466144 | 0.74 | CYP3A4 (0.60) | CYP3A4USP2MAPK1SMN1; SMN2LMNA | |
| Acetic Acid SCHEMBL27773211 | 0.73 | RXRA (0.59) | CYP3A4USP2MAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9670322 | 0.71 | USP2 (0.47) | CYP3A4USP2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL3326825 | 0.71 | TUBB4A (0.63) | CYP3A4USP2MAPK1SMN1; SMN2KMT2A | |
| SCHEMBL4404488 | 0.71 | KDM4E (0.47) | CYP3A4USP2MAPK1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005108992-A1 | MICROARRAY OF THREE-DIMENSIONAL HETEROPOLYMER MICROSTRUCTURES AND METHOD THEREFOR | ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2005-11-17 | — | — | WO | disclosed |