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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.80 |
| ▸ | CA4 | P22748 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 SCHEMBL465935 | 1.00 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL30165087 | 0.95 | — | — | |
| Acetic Acid SCHEMBL240 | 0.95 | CA1 (0.89) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL116885 | 0.95 | CA1 (0.89) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL25229790 | 0.90 | — | — | |
| Acetic Acid SCHEMBL11171211 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL1807958 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL4984916 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL16990779 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL1692008 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 |
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-5688959-A | MULTICOLOR DYE IMAGE AND INFRARED RADIATION ABSORBER WITH 1-HYDROXY-2-N-(5-ALKYLTHIAZOL-2-YL)NAPHTHAMIDE COUPLERS FORMING QUINONE IMINE DYES | AGFA-GEVAERT, N.V. (BE) | 1997-11-18 | — | — | US | disclosed |