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 | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26085595 | 0.74 | HDAC3 (0.41) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23772099 | 0.70 | ALDH1A1 (0.41) | BAZ2BBAZ2AKDM4EALDH1A1POLB | |
| SCHEMBL10990674 | 0.70 | HSP90AB1 (0.42) | KDM4EALDH1A1MAPT | |
| SCHEMBL21317632 | 0.69 | — | — | |
| SCHEMBL3674837 | 0.67 | TDP1 (0.46) | TPMTKDM4EALDH1A1POLB | |
| SCHEMBL26085596 | 0.67 | CA12 (0.41) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| Acetic Acid SCHEMBL30330510 | 0.67 | RAB9A (0.49) | KDM4EALDH1A1MAPT | |
| SCHEMBL22272822 | 0.66 | ALDH1A1 (0.40) | KDM4EALDH1A1POLBMAPT | |
| SCHEMBL24152811 | 0.65 | BRD9 (0.37) | ALDH1A1MAPT | |
| SCHEMBL25422171 | 0.64 | — | — |
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-1982001552-A1 | PROCESS FOR PRODUCING SUBSTITUTED PYRROLES | ETHYL CORP (US) | 1982-05-13 | — | — | WO | disclosed |