Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11342344 | 0.98 | SMN1; SMN2 (0.58) | POLBSMN1; SMN2SIGMAR1OPRK1MAOA | |
| SCHEMBL10729289 | 0.86 | OPRK1 (0.45) | POLBSMN1; SMN2SIGMAR1OPRK1MAOA | |
| Hydrochloric Acid SCHEMBL10729186 | 0.84 | OPRK1 (0.44) | POLBSMN1; SMN2SIGMAR1OPRK1MAOA | |
| Hydrochloric Acid SCHEMBL10729221 | 0.84 | DBH (0.45) | POLBSMN1; SMN2SIGMAR1OPRK1MAOA | |
| SCHEMBL980493 | 0.81 | SMN1; SMN2 (0.71) | POLBSMN1; SMN2SIGMAR1CYP1A2CYP2D6 | |
| SCHEMBL10734232 | 0.77 | L3MBTL1 (0.53) | SIGMAR1MAOAMAOBTMEM97 | |
| SCHEMBL7231784 | 0.77 | ALDH1A1 (0.56) | SIGMAR1MAOAMAOB | |
| SCHEMBL10729859 | 0.77 | ALDH1A1 (0.55) | POLBMAOAMAOBKMT2A | |
| SCHEMBL10733638 | 0.77 | MAOA (0.47) | MAOAMAOBDRD4 | |
| SCHEMBL4591437 | 0.77 | ALDH1A1 (0.53) | POLBMAOAMAOB |
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-0004727-B1 | BLOOD PLATELET AGGREGATION INHIBITORY PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-08-12 | — | — | EP | claimed |
| EP-0004727-A2 | Blood platelet aggregation inhibitory pyridine derivatives, pharmaceutical compositions thereof, and processes for their manufacture | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-10-17 | — | — | EP | claimed |
| EP-1389616-B1 | 3,4-Dihalobenzylpiperidine derivatives and their medical use | MITSUBISHI TANABE PHARMA CORP (JP) | 2011-07-27 | — | — | EP | disclosed |
| US-4645771-A | ANTICOAGULANT | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-02-24 | — | — | US | disclosed |
| EP-0004727-A2 | Blood platelet aggregation inhibitory pyridine derivatives, pharmaceutical compositions thereof, and processes for their manufacture | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-10-17 | — | — | EP | disclosed |