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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP5 | Q01469 | 3/20 | 0.43 |
| ▸ | FABP7 | O15540 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 SCHEMBL5941723 | 1.00 | FABP5 (0.43) | FABP5FABP7KMT2APIN1EPHX2 | |
| SCHEMBL4040012 | 0.96 | FABP5 (0.45) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL4042441 | 0.87 | KMT2A (0.40) | FABP5FABP7KMT2APIN1EPHX2 | |
| SCHEMBL5941730 | 0.87 | KMT2A (0.40) | FABP5FABP7KMT2APIN1EPHX2 | |
| SCHEMBL3423135 | 0.84 | FABP5 (0.47) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL30686169 | 0.84 | FABP5 (0.47) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL30686135 | 0.84 | FABP5 (0.47) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL4038089 | 0.84 | FABP5 (0.47) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL4050272 | 0.84 | FABP5 (0.47) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL4448418 | 0.84 | FABP5 (0.47) | FABP5FABP7KMT2AEPHX2CA1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612054-B2 | Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2009-11-03 | — | — | US | disclosed |
| EP-1651592-B1 | NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2009-04-29 | — | — | EP | disclosed |
| EP-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | disclosed |
| CN-100354276-C | Biologically active compounds | AMURA THERAPEUTICS LTD (GB) | 2007-12-12 | — | — | CN | disclosed |
| US-20070111991-A1 | Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2007-05-17 | — | — | US | disclosed |
| CN-1681817-A | Biologically active compounds | AMURA THERAPEUTICS LTD (GB) | 2005-10-12 | — | — | CN | disclosed |
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | 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 (1 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-20070111991-A1 | Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof | APP, BACE1, BCHE | FABP5 1258/4885FABP7 89/4885KMT2A 3287/4885 |
“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.