Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | RBP4 | P02753 | 6/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958672 | 1.00 | IDO1 (0.35) | IDO1HCAR2NR1I2TRPM8PGR | |
| SCHEMBL13376987 | 0.76 | GRM7 (0.38) | PGRHTTNCOA1NCOA3KDM4E | |
| SCHEMBL6949943 | 0.72 | RB1 (0.35) | HCAR2 | |
| SCHEMBL6949950 | 0.72 | RB1 (0.35) | HCAR2 | |
| SCHEMBL6952434 | 0.71 | HTT (0.39) | HCAR2HTTNCOA1NCOA3KDM4E | |
| SCHEMBL6954827 | 0.71 | HTT (0.39) | HCAR2HTTNCOA1NCOA3KDM4E | |
| SCHEMBL3317167 | 0.71 | MAOA (0.42) | IDO1HCAR2NR1I2TRPM8HSD11B1 | |
| SCHEMBL3317176 | 0.70 | IDO1 (0.40) | IDO1HCAR2NR1I2TRPM8HSD11B1 | |
| SCHEMBL22143614 | 0.68 | IDO1 (0.39) | IDO1HCAR2NR1I2TRPM8HSD11B1 | |
| SCHEMBL29895192 | 0.68 | IDO1 (0.39) | IDO1HCAR2NR1I2TRPM8HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5438150-A | Process for making 1-benzocycloalkyl-1,3-dihydroimidazole-2-thione derivatives | SYNTEX (U.S.A.) INC. (US) | 1995-08-01 | — | — | US | disclosed |