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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ANPEP | P15144 | 1/20 | 0.57 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL29777588 | 0.96 | POLB (0.61) | POLBANPEPSGMS2RAB9ANPC1 | |
| SCHEMBL27792353 | 0.82 | P2RX7 (0.55) | POLBANPEPSGMS2RAB9ANPC1 | |
| SCHEMBL30781999 | 0.81 | NPC1 (0.59) | POLBANPEPSGMS2RAB9ANPC1 | |
| SCHEMBL18640790 | 0.81 | GAA (0.59) | SGMS2RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL18640773 | 0.80 | POLB (0.65) | POLBRAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL6179239 | 0.80 | NPC1 (0.60) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL29655094 | 0.80 | NPC1 (0.60) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL11502870 | 0.80 | ANPEP (0.63) | POLBANPEPSGMS2RAB9ANPC1 | |
| SCHEMBL7095081 | 0.80 | GCK (0.52) | POLBRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7868057 | 0.79 | ANPEP (0.64) | POLBANPEPSGMS2RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102482257-B | Apoptosis signal-modulating kinase inhibitors | GILEAD SCIENCES, INC. (US) | 2016-01-20 | — | — | CN | disclosed |