Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.67 |
| ▸ | HTR2C | P28335 | 3/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.51 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.51 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | EED | O75530 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7678292 | 1.00 | CHRNA7 (0.67) | CHRNA7HTR2COPRM1OPRK1OPRL1 | |
| SCHEMBL7680425 | 1.00 | CHRNA7 (0.67) | CHRNA7HTR2COPRM1OPRK1OPRL1 | |
| SCHEMBL6001969 | 0.95 | CHRNA7 (0.68) | CHRNA7HTR2COPRM1OPRK1OPRL1 | |
| SCHEMBL6002219 | 0.91 | CHRNA7 (0.66) | CHRNA7HTR2COPRM1OPRK1OPRL1 | |
| SCHEMBL20137193 | 0.87 | CHRNA7 (0.80) | CHRNA7HTR2COPRM1OPRK1OPRL1 | |
| SCHEMBL5899579 | 0.87 | CHRNA7 (0.80) | CHRNA7HTR2COPRM1OPRK1OPRL1 | |
| SCHEMBL9737757 | 0.85 | CHRNA7 (0.77) | CHRNA7HTR2COPRM1OPRK1OPRL1 | |
| SCHEMBL6002202 | 0.85 | CHRNA7 (0.62) | CHRNA7OPRM1OPRK1OPRL1MAOB | |
| SCHEMBL5489875 | 0.85 | HTR2C (0.56) | CHRNA7HTR2COPRM1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL6421624 | 0.84 | CHRNA7 (0.75) | CHRNA7HTR2COPRM1OPRK1OPRL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6417183-B1 | DRUGS RELATES TO 1,4-DIAZACYCLOHEPTANES, TO PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND TO THEIR USE IN METHODS OF THERAPEUTIC TREATMENT OF NERVOUS SYSTEM DISORDERS | ASTRAZENELA UK LIMITED (GB) | 2002-07-09 | — | — | US | claimed |
| EP-1060169-A1 | 1,4-DIAZACYCLOHEPTANE DERIVATIVES | AstraZeneca AB (SE) | 2000-12-20 | — | — | EP | claimed |
| WO-1999032461-A1 | 1,4-DIAZACYCLOHEPTANE DERIVATIVES | ASTRAZENECA UK LIMITED (GB) | 1999-07-01 | — | — | WO | claimed |