Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 9/20 | 0.54 |
| ▸ | OPRL1 | P41146 | 9/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 8/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.54 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.45 |
| ▸ | CACNB1 | Q02641 | 3/20 | 0.45 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6774471 | 0.85 | OPRK1 (0.48) | OPRM1OPRL1OPRD1OPRK1CYP2D6 | |
| SCHEMBL6777765 | 0.85 | OPRM1 (0.57) | OPRM1OPRL1OPRD1OPRK1CACNA2D1 | |
| SCHEMBL6778892 | 0.83 | OPRM1 (0.56) | OPRM1OPRL1OPRD1OPRK1CACNA2D1 | |
| SCHEMBL6780954 | 0.82 | OPRL1 (0.69) | OPRM1OPRL1OPRD1OPRK1CACNA2D1 | |
| SCHEMBL17048541 | 0.76 | OPRM1 (0.40) | OPRM1OPRL1OPRD1OPRK1CYP2D6 | |
| SCHEMBL6895386 | 0.75 | OPRM1 (0.43) | OPRM1OPRL1OPRD1OPRK1CYP2D6 | |
| SCHEMBL17056170 | 0.74 | TACR1 (0.39) | OPRM1OPRL1OPRD1OPRK1CACNA2D1 | |
| SCHEMBL4166200 | 0.71 | OPRM1 (0.43) | OPRM1OPRL1OPRD1OPRK1CYP2D6 | |
| SCHEMBL6899043 | 0.70 | OPRL1 (0.67) | OPRM1OPRL1OPRD1OPRK1CACNA2D1 | |
| SCHEMBL6774667 | 0.70 | OPRM1 (0.50) | OPRM1OPRL1OPRD1OPRK1CACNA2D1 |
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 |