Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.72 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.62 |
| ▸ | THRA | P10827 | 6/20 | 0.60 |
| ▸ | THRB | P10828 | 6/20 | 0.60 |
| ▸ | RARB | P10826 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | GALR3 | O60755 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19443009 | 0.84 | PLK1 (0.74) | PLK1TRPV1THRATHRBRARB | |
| SCHEMBL6919330 | 0.84 | PLK1 (0.74) | PLK1TRPV1THRATHRBRARB | |
| SCHEMBL6958590 | 0.84 | PLK1 (1.00) | PLK1TRPV1THRATHRBRARB | |
| SCHEMBL10949157 | 0.82 | PLK1 (0.72) | PLK1TRPV1THRATHRBRARB | |
| SCHEMBL2027504 | 0.82 | PLK1 (0.72) | PLK1TRPV1THRATHRBRARB | |
| SCHEMBL10948379 | 0.81 | PLK1 (0.70) | PLK1TRPV1THRATHRBRARB | |
| SCHEMBL10949132 | 0.81 | PLK1 (0.70) | PLK1TRPV1RARBMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8163518 | 0.81 | PLK1 (0.70) | PLK1TRPV1THRATHRBRARB | |
| SCHEMBL2088848 | 0.79 | THRA (0.66) | PLK1TRPV1THRATHRBRARB | |
| SCHEMBL7633932 | 0.79 | PLK1 (0.68) | PLK1TRPV1THRATHRBRARB |
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 |