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 | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.84 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | RXRA | P19793 | 2/20 | 0.61 |
| ▸ | RXRB | P28702 | 2/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.58 |
| ▸ | DHODH | Q02127 | 1/20 | 0.58 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.53 |
| ▸ | FEN1 | P39748 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30436085 | 0.94 | KMO (0.95) | KMOLMNAGAARXRARXRB | |
| SCHEMBL250880 | 0.94 | KMO (0.95) | KMOLMNAGAARXRARXRB | |
| SCHEMBL31752544 | 0.94 | KMO (0.95) | KMOLMNAGAARXRARXRB | |
| Methylamine SCHEMBL8368462 | 0.92 | KMO (0.84) | KMOLMNAGAARXRARXRB | |
| SCHEMBL3220396 | 0.91 | KMO (0.91) | KMOLMNAGAARXRARXRB | |
| Hydrochloric Acid SCHEMBL30713416 | 0.91 | KMO (0.91) | KMOLMNAGAARXRARXRB | |
| Biphenyl SCHEMBL9652651 | 0.91 | KMO (0.91) | KMOLMNAGAARXRARXRB | |
| SCHEMBL28708895 | 0.91 | KMO (0.91) | KMOLMNAGAARXRARXRB | |
| SCHEMBL28690696 | 0.91 | KMO (0.91) | KMOLMNAGAARXRARXRB | |
| SCHEMBL849169 | 0.91 | KMO (1.00) | KMOLMNAGAARXRARXRB |
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-109311839-A | Methylamine derivative is used for treating cancer as lysyl oxidase inhibitor | 癌症研究协会皇家癌症医院 | 2019-02-05 | — | — | CN | disclosed |