Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6956594 | 0.92 | AKR1C3 (0.38) | AKR1C3AKR1C2ALDH1A1HPGDALOX15 | |
| SCHEMBL8611146 | 0.91 | AKR1C3 (0.33) | AKR1C3AKR1C2ALDH1A1HPGDALOX15 | |
| SCHEMBL6959676 | 0.86 | AKR1C3 (0.40) | AKR1C3AKR1C2ALDH1A1HPGDALOX15 | |
| SCHEMBL6953224 | 0.84 | TDP1 (0.39) | AKR1C3AKR1C2TDP1SMN1; SMN2KDM4E | |
| Potassium Ion SCHEMBL6959314 | 0.83 | TDP1 (0.30) | TDP1 | |
| SCHEMBL8610908 | 0.81 | AKR1C3 (0.38) | AKR1C3AKR1C2ALDH1A1HPGDALOX15 | |
| SCHEMBL6953460 | 0.81 | AKR1C3 (0.39) | AKR1C3AKR1C2ALDH1A1MAPTLMNA | |
| SCHEMBL6950349 | 0.80 | HRH4 (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL8611148 | 0.80 | RIPK1 (0.34) | ALDH1A1HPGDALOX15HSD17B10TSHR | |
| SCHEMBL6955879 | 0.79 | PSEN1 (0.32) | HTR1DPSEN1PSEN2APH1BNCSTN |
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 |