Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 8/20 | 0.41 |
| ▸ | DRD3 | P35462 | 8/20 | 0.41 |
| ▸ | DRD4 | P21917 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950364 | 1.00 | HTR1D (0.43) | HTR1DHTR1BCYP1A2CYP11B1CYP11B2 | |
| SCHEMBL4621351 | 0.92 | HTR1D (0.50) | HTR1DHTR1BCYP1A2CYP11B1CYP11B2 | |
| SCHEMBL6952592 | 0.92 | HTR1D (0.50) | HTR1DHTR1BCYP1A2CYP11B1CYP11B2 | |
| SCHEMBL3964498 | 0.84 | SLC6A4 (0.42) | HTR1DHTR1BDRD2DRD3HTR1A | |
| SCHEMBL12993448 | 0.84 | SLC6A4 (0.42) | HTR1DHTR1BDRD2DRD3HTR1A | |
| SCHEMBL30199160 | 0.78 | DRD3 (0.65) | CYP1A2DRD2DRD3DRD4HTR1A | |
| SCHEMBL2564622 | 0.78 | DRD3 (0.65) | CYP1A2DRD2DRD3DRD4HTR1A | |
| SCHEMBL6948524 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP11B1CYP11B2DRD2DRD3 | |
| SCHEMBL6951058 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP11B1CYP11B2DRD2DRD3 | |
| SCHEMBL16233582 | 0.77 | HTR1D (0.46) | HTR1DHTR1BDRD2DRD3DRD4 |
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 |