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 | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.63 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | THRB | P10828 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | STS | P08842 | 1/20 | 0.52 |
| ▸ | HPGDS | O60760 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3843148 | 0.97 | NAMPT (0.66) | NAMPTGPR119KDM4EPKMTP53 | |
| Dimethylamine SCHEMBL6608623 | 0.93 | NAMPT (0.65) | NAMPTGPR119KDM4EPKMTP53 | |
| Trifluoroacetic Acid SCHEMBL29880449 | 0.91 | NAMPT (0.60) | NAMPTGPR119KDM4EPKMTP53 | |
| SCHEMBL22050474 | 0.89 | NAMPT (0.64) | NAMPTGPR119KDM4EPKMTHRB | |
| SCHEMBL22051946 | 0.89 | NAMPT (0.64) | NAMPTGPR119KDM4EPKMTHRB | |
| SCHEMBL23951735 | 0.89 | TP53 (0.59) | NAMPTGPR119KDM4EPKMTP53 | |
| SCHEMBL697513 | 0.89 | TP53 (0.59) | NAMPTGPR119KDM4EPKMTP53 | |
| SCHEMBL1751432 | 0.89 | TP53 (0.59) | NAMPTGPR119KDM4EPKMTP53 | |
| SCHEMBL31616130 | 0.87 | NAMPT (0.61) | NAMPTGPR119KDM4EPKMTHRB | |
| SCHEMBL24350753 | 0.86 | GPR119 (0.55) | NAMPTGPR119KDM4EPKMTP53 |
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-115103709-A | MASP-2 inhibitors and methods of use | 奥默罗斯公司 | 2022-09-23 | — | — | CN | disclosed |