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 | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | RORC | P51449 | 8/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | PPARG | P37231 | 1/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL3661954 | 0.96 | NPSR1 (0.64) | NPSR1KDM4ERORCLMNAMEN1 | |
| SCHEMBL16922169 | 0.96 | NPSR1 (0.64) | NPSR1KDM4ERORCLMNAMEN1 | |
| Acetamide SCHEMBL28123803 | 0.94 | NPSR1 (0.60) | NPSR1KDM4ERORCLMNAMEN1 | |
| Pyruvate SCHEMBL27565886 | 0.94 | NPSR1 (0.60) | NPSR1KDM4ERORCLMNAMEN1 | |
| Phosphine SCHEMBL28235319 | 0.94 | NPSR1 (0.62) | NPSR1KDM4ERORCLMNAMEN1 | |
| SCHEMBL10902402 | 0.86 | NPSR1 (0.71) | NPSR1KDM4ERORCLMNAMEN1 | |
| SCHEMBL10902888 | 0.85 | TSHR (0.59) | NPSR1KDM4ERORCLMNAMEN1 | |
| SCHEMBL10729836 | 0.84 | NPSR1 (0.68) | NPSR1KDM4ERORCLMNAMEN1 | |
| SCHEMBL6314599 | 0.84 | MAPK1 (0.68) | NPSR1RORCLMNAMEN1KMT2A | |
| SCHEMBL2394121 | 0.84 | KDM4E (0.67) | NPSR1KDM4ERORCLMNAMEN1 |
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-101553232-A | Kinase inhibitors useful for the treatment of proliferative diseases | DECIPHERA PHARMACEUTICALS LLC (US) | 2009-10-07 | — | — | CN | disclosed |