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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.30 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.30 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL530173 | 0.88 | HRH4 (0.34) | ATMHRH4 | |
| SCHEMBL1723557 | 0.88 | HRH4 (0.34) | ATMHRH4 | |
| SCHEMBL672564 | 0.88 | HRH4 (0.34) | ATMHRH4 | |
| SCHEMBL1914630 | 0.75 | ATM (0.31) | ATM | |
| SCHEMBL528916 | 0.75 | ATM (0.31) | ATM | |
| SCHEMBL5256302 | 0.75 | ATM (0.31) | ATM | |
| SCHEMBL19814764 | 0.74 | GABRR1 (0.39) | ATMPOLB | |
| SCHEMBL680686 | 0.74 | HTT (0.34) | ATMGNAI3GNAO1GNAI1 | |
| SCHEMBL12047384 | 0.74 | ATM (0.40) | ATM | |
| SCHEMBL13937413 | 0.74 | ATM (0.31) | ATM |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1409463-B1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL MYERS SQUIBB CO (US) | 2010-02-24 | — | — | EP | disclosed |
| EP-1242385-B1 | CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS | PHARMACOPEIA INC (US) | 2009-11-25 | — | — | EP | disclosed |
| US-7479495-B2 | N-heterocyclic inhibitors of TNF-α expression | PHARMACOPEIA, INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-20050239770-A1 | N-heterocyclic inhibitors of TNF-alpha expression | MORIARTY KEVIN J | 2005-10-27 | — | — | US | disclosed |
| US-6906067-B2 | N-heterocyclic inhibitors of TNF-α expression | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-14 | — | — | US | disclosed |
| EP-1409463-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | Bristol-Myers Squibb Company (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003002542-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-01-09 | — | — | WO | disclosed |
| US-20020137747-A1 | N- heterocyclic inhibitors of TNF-alpha expression | PHARMACEOPEIA, INC. | 2002-09-26 | — | — | US | disclosed |
| EP-1242385-A1 | CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS | PHARMACOPEIA, INC. (US) | 2002-09-25 | — | — | EP | disclosed |
| US-20020065270-A1 | N-heterocyclic inhibitors of TNF-alpha expression | PHARMACOPEIA, INC. | 2002-05-30 | — | — | US | disclosed |
| WO-2001047897-A1 | CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS | PHARMACOPEIA, INC. (US) | 2001-07-05 | — | — | 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 (3 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-20050239770-A1 | N-heterocyclic inhibitors of TNF-alpha expression | TNF, RELA, NFKBIA | ATM 3110/4885HRH2 1337/4885HRH1 1716/4885 |
| US-20020137747-A1 | N- heterocyclic inhibitors of TNF-alpha expression | TNF, NFKBIA, RELA | ATM 3328/4885HRH2 1366/4885HRH1 1602/4885 |
| US-20020065270-A1 | N-heterocyclic inhibitors of TNF-alpha expression | TNF, NFKBIA, RELA | ATM 3328/4885HRH2 1366/4885HRH1 1602/4885 |
“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.