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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | JUN | P05412 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CMA1 | P23946 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1233284 | 0.95 | CYP2A6 (0.63) | CYP2A6KEAP1NFE2L2SMN1; SMN2TP53 | |
| SCHEMBL12174999 | 0.86 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1POLB | |
| SCHEMBL10339723 | 0.83 | CYP2A6 (0.53) | CYP2A6KEAP1NFE2L2SMN1; SMN2TP53 | |
| SCHEMBL10370773 | 0.82 | CYP2A6 (0.66) | CYP2A6SMN1; SMN2TP53RXFP1POLB | |
| SCHEMBL6673016 | 0.81 | CYP2A6 (0.59) | CYP2A6KEAP1NFE2L2SMN1; SMN2TP53 | |
| SCHEMBL7828553 | 0.81 | KEAP1 (0.51) | CYP2A6KEAP1NFE2L2SMN1; SMN2TP53 | |
| SCHEMBL13338100 | 0.80 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TP53RXFP1POLB | |
| SCHEMBL12158633 | 0.80 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TP53RXFP1POLB | |
| SCHEMBL6979554 | 0.79 | CYP2A6 (0.61) | CYP2A6KEAP1NFE2L2SMN1; SMN2TP53 | |
| SCHEMBL3070140 | 0.79 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1POLB |
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-2002079753-A2 | 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-10-10 | — | — | WO | disclosed |