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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1357849 | 0.89 | MAOB (0.58) | MAOBALDH1A1TSHRHTTMEN1 | |
| SCHEMBL1108184 | 0.87 | MAOB (0.61) | MAOBALDH1A1TSHRHTTMEN1 | |
| SCHEMBL8747352 | 0.85 | MAOB (0.59) | MAOBALDH1A1TSHRHTTMEN1 | |
| SCHEMBL1759352 | 0.78 | MAOB (0.55) | MAOBALDH1A1TSHRHTTMEN1 | |
| SCHEMBL3291389 | 0.78 | MEN1 (0.52) | MAOBALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL602068 | 0.76 | MAOB (0.55) | MAOBALDH1A1TSHRHTTMEN1 | |
| SCHEMBL602067 | 0.76 | MAOB (0.55) | MAOBALDH1A1TSHRHTTMEN1 | |
| SCHEMBL20598466 | 0.75 | MAOB (0.54) | MAOBALDH1A1TSHRHTTMEN1 | |
| SCHEMBL1556056 | 0.75 | MAOB (0.54) | MAOBALDH1A1TSHRHTTMEN1 | |
| SCHEMBL286962 | 0.75 | MAOB (0.56) | MAOBALDH1A1TSHRHTTMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5384412-A | 4-trihydrocarbylsiloxy-6-methyltetrahydropyran derivatives; anticarcinogenic agents | THE SCRIPPS RESEARCH INSTITUTE (US) | 1995-01-24 | — | — | US | disclosed |
| EP-0530225-A4 | INTERMEDIATES IN THE FORMATION OF THE CALICHEAMICIN AND ESPERAMICIN OLIGOSACCHARIDES | — | 1993-09-22 | — | — | EP | disclosed |
| EP-0530225-A1 | INTERMEDIATES IN THE FORMATION OF THE CALICHEAMICIN AND ESPERAMICIN OLIGOSACCHARIDES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1991017158-A1 | INTERMEDIATES IN THE FORMATION OF THE CALICHEAMICIN AND ESPERAMICIN OLIGOSACCHARIDES | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1991-11-14 | — | — | WO | disclosed |