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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | CTSK | P43235 | 6/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1363554 | 0.82 | — | — | |
| Acetic Acid SCHEMBL31381638 | 0.77 | CTSK (0.35) | MAOAMAOBMEN1GAAKMT2A | |
| Guanidine SCHEMBL18128882 | 0.75 | MAOA (0.39) | MAOAMAOBMEN1GAAKMT2A | |
| Acetic Acid SCHEMBL3489390 | 0.75 | MEN1 (0.38) | MEN1GAAKMT2ATDP1CA12 | |
| Acetic Acid SCHEMBL27799998 | 0.74 | MEN1 (0.40) | MAOAMAOBMEN1GAAKMT2A | |
| Acetic Acid SCHEMBL27631020 | 0.73 | ELANE (0.32) | DGAT1 | |
| Guanidine SCHEMBL27275385 | 0.73 | GAA (0.41) | MAOAMAOBGAADGAT1 | |
| SCHEMBL320540 | 0.72 | MAOA (0.40) | MAOAMAOBMEN1GAAKMT2A | |
| Acetic Acid SCHEMBL5392633 | 0.72 | CTSK (0.42) | MEN1GAAKMT2ATDP1CA12 | |
| Acetic Acid SCHEMBL3543052 | 0.72 | MEN1 (0.41) | MEN1GAAKMT2ATDP1CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1762990-A | Valency platform molecules comprising aminooxy groups | JOLLA PHARMA (US) | 2006-04-26 | — | — | CN | disclosed |
| CN-1358171-A | Valency platform molecules comprising aminooxy groups | JOLLA PHARMACEUTICALS CO (US) | 2002-07-10 | — | — | CN | disclosed |
| CN-1355794-A | Cyclo-imino depsipeptides and their utilization in controlling endoparasites | BAYER AG (DE) | 2002-06-26 | — | — | CN | disclosed |