Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.36 |
| ▸ | ITGAL | P20701 | 2/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | ECE1 | P42892 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948843 | 1.00 | CES2 (0.41) | CES2CES1ACEACKR3ALDH1A1 | |
| SCHEMBL7799493 | 0.81 | PLOD2 (0.51) | ACEALDH1A1CTSL | |
| SCHEMBL7799498 | 0.81 | PLOD2 (0.51) | ACEALDH1A1CTSL | |
| SCHEMBL7908676 | 0.79 | MAPT (0.43) | CES2CES1ACEALDH1A1ITGB2 | |
| SCHEMBL7912396 | 0.79 | MAPT (0.43) | CES2CES1ACEALDH1A1ITGB2 | |
| SCHEMBL7908401 | 0.77 | CES2 (0.40) | CES2CES1ACEITGB2ICAM1 | |
| SCHEMBL7908375 | 0.77 | CES2 (0.40) | CES2CES1ACEITGB2ICAM1 | |
| SCHEMBL7899386 | 0.77 | CES2 (0.40) | CES2CES1ACEITGB2ICAM1 | |
| SCHEMBL6951996 | 0.76 | ACE (0.41) | ACEMMEECE1 | |
| SCHEMBL6951990 | 0.76 | ACE (0.41) | ACEMMEECE1 |
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 |