Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 6/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | HRH1 | P35367 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | GHSR | Q92847 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6889358 | 0.85 | OPRM1 (0.54) | OPRK1OPRD1OPRM1OPRL1NPSR1 | |
| SCHEMBL6775745 | 0.82 | OPRL1 (0.52) | OPRK1ADORA3HRH1KCNH2LMNA | |
| SCHEMBL6778892 | 0.80 | OPRM1 (0.56) | OPRK1ADORA3HRH1KCNH2LMNA | |
| SCHEMBL6895386 | 0.75 | OPRM1 (0.43) | OPRK1KCNH2CNR1OPRD1OPRM1 | |
| SCHEMBL4166200 | 0.73 | OPRM1 (0.43) | OPRK1ADORA3HRH1KCNH2OPRD1 | |
| SCHEMBL15797515 | 0.72 | NPSR1 (0.57) | OPRK1ADORA3HRH1KCNH2OPRD1 | |
| SCHEMBL6774278 | 0.70 | MAOA (0.50) | OPRK1ADORA3HRH1KCNH2LMNA | |
| SCHEMBL10047375 | 0.68 | NPSR1 (0.61) | OPRK1ADORA3HRH1KCNH2OPRD1 | |
| SCHEMBL6780954 | 0.68 | OPRL1 (0.69) | OPRK1OPRD1OPRM1OPRL1CYP2D6 | |
| SCHEMBL14742155 | 0.67 | CYP3A4 (0.69) | OPRK1ADORA3HRH1KCNH2OPRD1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831078-B1 | 3-aryl substituted having halo or alkylhalo groups; anxiety, epilepsy; presurgery muscle relaxant | VERNALIS RESEARCH LIMITED (GB) | 2004-12-14 | — | — | US | disclosed |
| EP-1049670-B1 | AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS | VERNALIS RES LTD (GB) | 2002-07-17 | — | — | EP | disclosed |
| EP-1196165-A2 | AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES | VERNALIS RESEARCH LIMITED (GB) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001007022-A2 | AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES | VERNALIS RESEARCH LIMITED (GB) | 2001-02-01 | — | — | WO | disclosed |
| EP-1049670-A1 | AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS | VERNALIS RESEARCH LIMITED (GB) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037613-A1 | AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS | VERNALIS RESEARCH LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |