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 | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 9/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | CDC7 | O00311 | 2/20 | 0.40 |
| ▸ | WNT1 | P04628 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 4/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13604781 | 0.94 | EGFR (0.50) | FDPSEGFRCTNNB1WNT3ADYRK1A | |
| SCHEMBL3705904 | 0.82 | FDPS (0.45) | FDPSEGFRCTNNB1WNT3AMAPK1 | |
| SCHEMBL3704780 | 0.80 | FDPS (0.44) | FDPSEGFRCTNNB1WNT3AMEN1 | |
| SCHEMBL3702007 | 0.77 | GSK3B (0.56) | MAPK1DYRK1AROCK2GSK3BCDC7 | |
| Hydrochloric Acid SCHEMBL3698007 | 0.76 | GSK3B (0.54) | MAPK1DYRK1AROCK2GSK3BCDC7 | |
| SCHEMBL3696456 | 0.76 | PPM1D (0.45) | MEN1KMT2ADYRK1AROCK2GSK3B | |
| SCHEMBL3699988 | 0.72 | ROCK1 (0.42) | DYRK1AROCK2ROCK1PRKACANPC1 | |
| SCHEMBL3694863 | 0.71 | ROCK2 (0.43) | EGFRCTNNB1WNT3AMAPK1MEN1 | |
| Trifluoroacetic Acid SCHEMBL3698032 | 0.70 | HTR5A (0.41) | FDPSDYRK1AROCK2ROCK1PRKACA | |
| SCHEMBL18444196 | 0.67 | CHRNB2 (0.51) | FDPSEGFRDYRK1AROCK2GSK3B |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | claimed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | claimed |
| EP-1851199-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | Aventis Pharmaceuticals, Inc. (US) | 2007-11-07 | — | — | EP | claimed |
| WO-2006086705-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-17 | — | — | WO | claimed |
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7618650-B2 | Combination of a hypnotic agent and substituted bis aryl and heteroaryl compound and therapeutic application thereof | AVENTIS PHARMACEUTICALS INC (US) | 2009-11-17 | — | — | US | disclosed |
| EP-1928442-B1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | AVENTIS PHARMA INC (US) | 2009-11-04 | — | — | EP | disclosed |
| US-20080138413-A1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | AVENTIS PHARMACEUTICALS INC. (US) | 2008-06-12 | — | — | US | disclosed |
| EP-1928442-A2 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | Aventis Pharmaceuticals Inc. (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | disclosed |
| EP-1851199-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | Aventis Pharmaceuticals, Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| WO-2007024600-A2 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-01 | — | — | WO | disclosed |
| WO-2006086705-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-17 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080138413-A1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | HCRTR1, HCRTR2, MTNR1B | FDPS 2040/4885EGFR 4151/4885CTNNB1 2969/4885 |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | HTR2A, HTR2B, HTR2C | FDPS 3429/4885EGFR 3896/4885CTNNB1 2163/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.