Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.50 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.47 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6774278 | 0.84 | MAOA (0.50) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL6780265 | 0.84 | OPRM1 (0.50) | OPRM1OPRD1OPRK1OPRL1CACNA2D1 | |
| SCHEMBL17048566 | 0.83 | GRIN2B (0.42) | OPRM1OPRD1OPRK1OPRL1CACNA1A | |
| SCHEMBL1740290 | 0.83 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL6774627 | 0.82 | OPRM1 (0.48) | OPRM1OPRD1OPRK1OPRL1CACNA2D1 | |
| SCHEMBL6781064 | 0.79 | CHRM2 (0.53) | OPRM1OPRD1OPRK1OPRL1CACNA1A | |
| SCHEMBL6980526 | 0.79 | CYP2D6 (0.43) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL1741828 | 0.78 | ACHE (0.48) | OPRM1OPRD1OPRK1OPRL1CACNA1A | |
| SCHEMBL4636695 | 0.75 | NAAA (0.53) | OPRM1OPRD1OPRK1OPRL1CACNA1A | |
| SCHEMBL28172640 | 0.73 | OPRM1 (0.44) | OPRM1OPRD1OPRK1OPRL1CACNA2D1 |
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 |