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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL156185 | 0.96 | KCNN4 (0.50) | KCNN4CYP2C19HIF1AALDH1A1HTT | |
| SCHEMBL5578383 | 0.83 | ELANE (0.49) | ALDH1A1HTTAKT1KMT2ASMN1; SMN2 | |
| SCHEMBL17599140 | 0.82 | CYP2C19 (0.47) | KCNN4CYP2C19HIF1AALDH1A1HTT | |
| SCHEMBL8695219 | 0.81 | KCNN4 (0.50) | KCNN4CYP2C19HIF1AALDH1A1POLB | |
| SCHEMBL8034045 | 0.81 | CYP2C19 (0.50) | KCNN4CYP2C19HIF1AALDH1A1HTT | |
| SCHEMBL7522718 | 0.81 | MAPT (0.44) | ALDH1A1HTTPOLBMAPTKMT2A | |
| SCHEMBL1020012 | 0.81 | SRD5A2 (0.49) | ALDH1A1POLBMAPTKMT2ATSHR | |
| SCHEMBL1524169 | 0.80 | RAB9A (0.47) | CYP2C19ALDH1A1POLBHDAC1HDAC6 | |
| SCHEMBL433693 | 0.80 | SHBG (0.50) | ALDH1A1ME2ME1ME3OPRK1 | |
| SCHEMBL4715047 | 0.80 | LMNA (0.39) | ALDH1A1HTTMAPTKMT2AALOX15 |
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-20050287476-A1 | Photocurable ink-jet ink, ink-jet image forming method and ink-jet recording apparatus using the same | KONICA MINOLTA MEDICAL & GRAPHIC, INC. | 2005-12-29 | — | — | US | disclosed |