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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3153220 | 0.72 | MEN1 (0.32) | KDM1ANPC1SMN1; SMN2XDHHTT | |
| SCHEMBL403843 | 0.71 | MEN1 (0.32) | NPC1XDH | |
| SCHEMBL15942756 | 0.70 | KDM1A (0.33) | KDM1AXDHHTT | |
| Hydrochloric Acid SCHEMBL25212839 | 0.66 | SMN1; SMN2 (0.51) | NPC1KDM4ESMN1; SMN2 | |
| SCHEMBL24015577 | 0.62 | SMN1; SMN2 (0.42) | KDM4ESMN1; SMN2HTT | |
| SCHEMBL14825920 | 0.61 | L3MBTL1 (0.46) | HCAR3KDM4ESMN1; SMN2 | |
| SCHEMBL24129339 | 0.60 | HTT (0.30) | HTT | |
| SCHEMBL24717114 | 0.60 | HTT (0.30) | HTT | |
| SCHEMBL15156739 | 0.59 | LMNA (0.47) | KDM4E | |
| Acetic Acid SCHEMBL540945 | 0.59 | P2RX7 (0.40) | KDM4ESMN1; SMN2HTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546107-B1 | COX-2 INHIBITING PYRIDINE DERIVATIVES | GLAXO GROUP LTD (GB) | 2010-03-31 | — | — | EP | disclosed |
| US-7446117-B2 | Cox-2 inhibiting pyridine derivatives | GLAXO GROUP LIMITED (GB) | 2008-11-04 | — | — | US | disclosed |
| US-20060040988-A1 | Cox-2 Inhibiting pyridine derivatives | GLAXO GROUP LIMITED (GB) | 2006-02-23 | — | — | US | disclosed |
| EP-1546107-A1 | COX-2 INHIBITING PYRIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004024691-A1 | COX-2 INHIBITING PYRIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2004-03-25 | — | — | 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-20060040988-A1 | Cox-2 Inhibiting pyridine derivatives | PTGS2, PTGES2, PTGS1 | HCAR3 2591/4885KDM1A 2831/4885NPC1 3085/4885 |
“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.