Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4857120 | 1.00 | CA1 (0.45) | CA1CA2PLAUMTNR1AMTNR1B | |
| SCHEMBL5982154 | 0.91 | CA2 (0.41) | CA1CA2PLAUMTNR1AMTNR1B | |
| SCHEMBL1415538 | 0.87 | IDO1 (0.48) | CA1CA2IDO1 | |
| SCHEMBL3318329 | 0.81 | DRD2 (0.57) | CA1CA2MTNR1AMTNR1B | |
| SCHEMBL10043010 | 0.81 | DRD2 (0.57) | CA1CA2MTNR1AMTNR1B | |
| SCHEMBL6958304 | 0.80 | HTR1D (0.39) | CA1CA2MTNR1AMTNR1BSLC6A4 | |
| SCHEMBL6951811 | 0.80 | HTR1D (0.39) | CA1CA2MTNR1AMTNR1BSLC6A4 | |
| SCHEMBL6951816 | 0.80 | HTR1D (0.39) | CA1CA2MTNR1AMTNR1BSLC6A4 | |
| SCHEMBL6405616 | 0.80 | DRD2 (0.57) | CA1CA2MTNR1AMTNR1BHTR2C | |
| SCHEMBL6958050 | 0.80 | HTR1D (0.45) | CA1CA2HTR2CSLC6A4 |
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 |