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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5545625 | 0.92 | KDM4E (0.50) | NPC1RAB9AALDH1A1KDM4ESRC | |
| Acetic Acid SCHEMBL6252877 | 0.81 | NPC1 (0.55) | NPC1RAB9AALDH1A1KDM4ESRC | |
| SCHEMBL5542553 | 0.78 | NPC1 (0.46) | NPC1RAB9AALDH1A1KDM4EP2RX7 | |
| SCHEMBL6248360 | 0.76 | NPC1 (0.60) | NPC1RAB9AALDH1A1KDM4EP2RX7 | |
| SCHEMBL26568731 | 0.75 | P2RX7 (0.43) | ALDH1A1KDM4ESRCP2RX7ADH1B | |
| SCHEMBL19017833 | 0.75 | P2RX7 (0.43) | ALDH1A1KDM4EP2RX7POLBMEN1 | |
| SCHEMBL22854882 | 0.75 | HPGD (0.42) | NPC1RAB9AALDH1A1KDM4ESRC | |
| SCHEMBL15476680 | 0.74 | KDM4E (0.53) | NPC1RAB9AALDH1A1KDM4EP2RX7 | |
| SCHEMBL29473478 | 0.74 | RAB9A (0.62) | NPC1RAB9AALDH1A1KDM4EP2RX7 | |
| SCHEMBL20807129 | 0.74 | KDM4E (0.50) | NPC1RAB9AALDH1A1KDM4EP2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1377560-B1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | GLAXO GROUP LTD (GB) | 2005-09-21 | — | — | EP | claimed |
| US-20040157858-A1 | Piperazine derivatives as tachykinin antagonists | GLAXO GROUP LIMITED (GB) | 2004-08-12 | — | — | US | claimed |
| EP-1377560-A1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2004-01-07 | — | — | EP | claimed |
| WO-2002081461-A1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2002-10-17 | — | — | WO | claimed |
| EP-1377560-B1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | GLAXO GROUP LTD (GB) | 2005-09-21 | — | — | EP | disclosed |
| US-20040157858-A1 | Piperazine derivatives as tachykinin antagonists | GLAXO GROUP LIMITED (GB) | 2004-08-12 | — | — | US | disclosed |
| EP-1377560-A1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002081461-A1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2002-10-17 | — | — | 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 (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-20040157858-A1 | Piperazine derivatives as tachykinin antagonists | NPSR1, SSTR2, PROKR1 | NPC1 736/4885RAB9A 3330/4885ALDH1A1 2184/4885 |
“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.