Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 6/20 | 0.41 |
| ▸ | PPARG | P37231 | 5/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6957298 | 1.00 | ACE (0.50) | ACEITGA4ITGB7ITGB3ITGA2B | |
| SCHEMBL22403247 | 0.91 | ACE (0.40) | ACEITGA4ITGB7CTSSCTSL | |
| SCHEMBL16819882 | 0.88 | ACE (0.47) | ACEITGA4ITGB7ITGB3ITGA2B | |
| SCHEMBL15426849 | 0.88 | ACE (0.47) | ACEITGA4ITGB7ITGB3ITGA2B | |
| SCHEMBL8054432 | 0.88 | CTSS (0.40) | ACECTSSCTSLCTSBCTSK | |
| SCHEMBL3007905 | 0.85 | ACE (0.49) | ACEITGA4ITGB7ITGB3ITGA2B | |
| SCHEMBL7052233 | 0.85 | ACE (0.49) | ACEITGA4ITGB7ITGB3ITGA2B | |
| SCHEMBL3007900 | 0.85 | ACE (0.49) | ACEITGA4ITGB7ITGB3ITGA2B | |
| SCHEMBL15412931 | 0.85 | MEN1 (0.43) | ACE | |
| SCHEMBL13811785 | 0.84 | ACE (0.36) | ACEITGA4ITGB7CTSSCTSL |
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 |
|---|---|---|---|---|---|---|---|
| US-9085587-B2 | Inhibitors of hepatitis C virus | PRESIDIO PHARMACEUTICALS, INC. (US) | 2015-07-21 | — | — | US | disclosed |
| 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 |