Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.36 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958877 | 0.85 | TDP1 (0.45) | TDP1AKR1C3 | |
| SCHEMBL6953460 | 0.83 | AKR1C3 (0.39) | MTNR1AMTNR1BAKR1C3 | |
| SCHEMBL6951075 | 0.79 | GRIN2B (0.40) | GRIN2BOPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL6957737 | 0.78 | MTNR1A (0.44) | GRIN2BOPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL6949615 | 0.78 | GRIN2B (0.38) | GRIN2BOPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL6952411 | 0.77 | TDP1 (0.39) | TDP1AKR1C3 | |
| SCHEMBL6953224 | 0.77 | TDP1 (0.39) | TDP1AKR1C3 | |
| SCHEMBL6957368 | 0.75 | GRIN2B (0.38) | GRIN2BOPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL13475453 | 0.75 | GRIN2B (0.39) | GRIN2BOPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL6957363 | 0.75 | GRIN2B (0.38) | GRIN2BOPRL1OPRM1OPRK1OPRD1 |
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-0757677-B1 | BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES | SYNTEX LLC (US) | 2003-06-18 | — | — | EP | disclosed |
| US-5719280-A | REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID | SYNTEX (U.S.A.) INC. (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0757677-A1 | BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1997-02-12 | — | — | EP | disclosed |
| US-5538988-A | CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS | SYNTEX (U.S.A.) INC. | 1996-07-23 | — | — | US | disclosed |
| WO-1995029165-A2 | BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1995-11-02 | — | — | WO | disclosed |