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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 19/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL694227 | 0.97 | P2RY12 (0.46) | P2RY12LMNAPOLBSMN1; SMN2 | |
| SCHEMBL693694 | 0.97 | P2RY12 (0.46) | P2RY12LMNAPOLBSMN1; SMN2 | |
| SCHEMBL956440 | 0.90 | P2RY12 (0.41) | P2RY12 | |
| SCHEMBL956438 | 0.90 | P2RY12 (0.41) | P2RY12 | |
| SCHEMBL317073 | 0.86 | DPP4 (0.44) | P2RY12POLBSMN1; SMN2 | |
| SCHEMBL317074 | 0.86 | DPP4 (0.44) | P2RY12POLBSMN1; SMN2 | |
| SCHEMBL694085 | 0.84 | SMN1; SMN2 (0.47) | P2RY12LMNAPOLBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL718575 | 0.83 | SMN1; SMN2 (0.46) | P2RY12LMNAPOLBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL718574 | 0.83 | SMN1; SMN2 (0.46) | P2RY12LMNAPOLBSMN1; SMN2 | |
| SCHEMBL1143510 | 0.82 | TSHR (0.40) | P2RY12POLBSMN1; SMN2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2417128-B1 | 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-03-02 | — | — | EP | disclosed |
| EP-2081903-B1 | 2-AMINOCARBONYL-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-05-07 | — | — | EP | disclosed |
| US-8288385-B2 | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-16 | — | — | US | disclosed |
| EP-2417128-A2 | 6-(3-AZA-BICYCLOÝ3.1.0¨HEX-3-YL)-2-PHENYL-PYRIMIDINES | Actelion Pharmaceuticals Ltd. (CH) | 2012-02-15 | — | — | EP | disclosed |
| US-20120028989-A1 | 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES | VIATRIS ASIA PACIFIC PTE. LTD. (SG) | 2012-02-02 | — | — | US | disclosed |
| US-8093250-B2 | 2-aminocarbonyl-pyridine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-01-10 | — | — | US | disclosed |
| US-8044055-B2 | 2-phenyl-6-aminocarbonyl-pyrimidine derivatives and their use as P2Y12 receptor | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-10-25 | — | — | US | disclosed |
| WO-2010116328-A2 | 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-10-14 | — | — | WO | disclosed |
| US-20100035895-A1 | 2-AMINOCARBONYL-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-02-11 | — | — | US | disclosed |
| EP-2079711-B1 | 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-01-06 | — | — | EP | disclosed |
| US-20090291962-A1 | 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR | ACTELION PHARMACEUTICALS LTD. (CH) | 2009-11-26 | — | — | US | disclosed |
| EP-2081903-A2 | 2-AMINOCARBONYL-PYRIDINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2009-07-29 | — | — | EP | disclosed |
| EP-2079711-A2 | 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008050301-A2 | 2- PHENYL- 6-AMINOCARBONYL- PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-05-02 | — | — | WO | disclosed |
| WO-2008044217-A2 | 2-AMINOCARBONYL-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-04-17 | — | — | 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 (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-20100035895-A1 | 2-AMINOCARBONYL-PYRIDINE DERIVATIVES | P2RY12, P2RY2, P2RY1 | P2RY12 1/4885LMNA 2766/4885POLB 4323/4885 |
| US-20090291962-A1 | 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR | P2RY12, P2RY13, P2RY2 | P2RY12 1/4885LMNA 2912/4885POLB 2712/4885 |
| US-20120028989-A1 | 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES | P2RY12, P2RY13, P2RY6 | P2RY12 1/4885LMNA 3717/4885POLB 3364/4885 |
“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.