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 | |
|---|---|---|---|---|
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4604551 | 0.91 | MPI (0.47) | MPITDP1EDNRBEDNRAMAPT | |
| SCHEMBL4603246 | 0.82 | MEN1 (0.42) | MPITDP1MEN1KMT2AALDH1A1 | |
| SCHEMBL4602853 | 0.79 | TDP1 (0.56) | MPITDP1MAPTMEN1KMT2A | |
| SCHEMBL4602903 | 0.79 | TDP1 (0.52) | MPITDP1MAPTMEN1KMT2A | |
| SCHEMBL9750009 | 0.78 | CHRNA7 (0.46) | MAPTMEN1KMT2AMAPK1ALDH1A1 | |
| SCHEMBL4604057 | 0.71 | MPI (0.49) | MPITDP1MAPTKDM4EMEN1 | |
| SCHEMBL13171960 | 0.70 | NR1H2 (0.45) | MPITDP1MYCMAPTKDM4E | |
| SCHEMBL10882989 | 0.69 | MAPT (0.37) | TDP1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL6092178 | 0.69 | MPI (0.50) | MPITDP1MAPTKDM4EMEN1 | |
| SCHEMBL11561075 | 0.67 | HSPA9 (0.43) | MPITDP1MYCMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4959471-A | IMPROVED MIGRATION PROPERTIES IN PLASTICS, LENSES | OPTISCHE WERKE G. RODENSTOCK (DE) | 1990-09-25 | — | — | US | disclosed |