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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 1/20 | 0.66 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.64 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL2943611 | 0.86 | CYP19A1 (0.81) | CYP19A1KCNA5KCNH2ALDH1A1HDAC3 | |
| SCHEMBL13234567 | 0.84 | CYP19A1 (0.73) | ALOX12CYP19A1KCNA5KCNH2NR3C1 | |
| SCHEMBL23649399 | 0.82 | ALOX12 (0.71) | ALOX12CYP19A1KCNA5KCNH2HDAC3 | |
| SCHEMBL29824840 | 0.82 | ALOX12 (0.71) | ALOX12CYP19A1KCNA5KCNH2HDAC3 | |
| SCHEMBL13234562 | 0.81 | CYP19A1 (0.58) | ALOX12CYP19A1NR3C1MMP2MMP9 | |
| SCHEMBL13234572 | 0.81 | ALOX12 (0.66) | ALOX12CYP19A1KCNA5KCNH2NR3C1 | |
| SCHEMBL13234573 | 0.80 | ALOX12 (0.77) | ALOX12CYP19A1KCNA5KCNH2 | |
| SCHEMBL2952426 | 0.80 | ALOX12 (1.00) | ALOX12CYP19A1KCNA5KCNH2 | |
| SCHEMBL25254459 | 0.79 | NR3C1 (0.65) | CYP19A1ALDH1A1NR3C1MMP2MMP9 | |
| SCHEMBL30589551 | 0.79 | CYP19A1 (1.00) | CYP19A1KCNA5KCNH2ALDH1A1HDAC3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2423190-A1 | Compounds Exhibiting PGD 2 Receptor Antagonism | Shionogi&Co., Ltd. (JP) | 2012-02-29 | — | — | EP | claimed |
| US-20090258922-A1 | COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST | SHIONOGI & CO., LTD. | 2009-10-15 | — | — | US | claimed |
| US-20050171143-A1 | Compound exhibiting pgd 2 receptor antagonism | SHIONOGI & CO., LTD. (JP) | 2005-08-04 | — | — | US | claimed |
| EP-1505061-A1 | COMPOUND EXHIBITING PGD 2 RECEPTOR ANTAGONISM | SHIONOGI & CO., LTD. (JP) | 2005-02-09 | — | — | EP | claimed |
| EP-2423190-A1 | Compounds Exhibiting PGD 2 Receptor Antagonism | Shionogi&Co., Ltd. (JP) | 2012-02-29 | — | — | EP | disclosed |
| US-20090258922-A1 | COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST | SHIONOGI & CO., LTD. | 2009-10-15 | — | — | US | disclosed |
| US-7534897-B2 | Indole arylsulfonaimide compounds exhibiting PGD 2 receptor antagonism | SHIONOGI & CO., LTD. (JP) | 2009-05-19 | — | — | US | disclosed |
| US-20050171143-A1 | Compound exhibiting pgd 2 receptor antagonism | SHIONOGI & CO., LTD. (JP) | 2005-08-04 | — | — | US | disclosed |
| EP-1505061-A1 | COMPOUND EXHIBITING PGD 2 RECEPTOR ANTAGONISM | SHIONOGI & CO., LTD. (JP) | 2005-02-09 | — | — | EP | 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-20090258922-A1 | COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST | CYSLTR2, CYSLTR1, HRH2 | ALOX12 83/4885CYP19A1 1164/4885KCNA5 2720/4885 |
| US-20050171143-A1 | Compound exhibiting pgd 2 receptor antagonism | CYSLTR2, CYSLTR1, HRH2 | ALOX12 204/4885CYP19A1 1251/4885KCNA5 2974/4885 |
“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.