Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8938695 | 0.85 | CES1 (0.41) | CES1MAPTALDH1A1GAALRRK2 | |
| SCHEMBL9470745 | 0.85 | CES1 (0.35) | CSNK1G1CES1MAPTNPC1ALDH1A1 | |
| SCHEMBL8938744 | 0.83 | GSK3B (0.45) | CES1MAPTALDH1A1CYP1A2GAA | |
| SCHEMBL10621561 | 0.76 | CSNK1G1 (0.42) | CSNK1G1MAPTNPC1ALDH1A1CYP1A2 | |
| SCHEMBL10623745 | 0.75 | GSK3B (0.45) | CES1MAPTALDH1A1CYP1A2GAA | |
| SCHEMBL9471369 | 0.70 | CES1 (0.35) | CES1MAPTNPC1ALDH1A1GAA | |
| SCHEMBL10620893 | 0.69 | HRH4 (0.50) | DRD2DRD4 | |
| SCHEMBL10620834 | 0.68 | GSK3B (0.42) | MAPTALDH1A1CYP1A2GAACYP2C9 | |
| SCHEMBL9471316 | 0.68 | L3MBTL1 (0.39) | CES1ALDH1A1GAASMN1; SMN2SRD5A1 | |
| SCHEMBL10542544 | 0.68 | MAPT (0.41) | MAPTALDH1A1CYP1A2CYP2C9CYP2C19 |
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-4764616-A | ANALGESIC, ANTIPHYCHOTIC | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-08-16 | — | — | US | disclosed |
| US-4761412-A | Benzopyrrolobenzodiazepines and quinobenzodiazepines useful for the treatment of psychoses | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-08-02 | — | — | US | disclosed |
| US-4723007-A | ANALGESICS, ANTIPSYCHOTIC AGENTS; INTERMEDIATES FOR PROCESSING | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-02-02 | — | — | US | disclosed |
| US-4723003-A | ANTIPSYCHOTIC AGENTS, ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-02-02 | — | — | US | disclosed |
| US-4663453-A | Benzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepines having dopamine receptor activity | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1987-05-05 | — | — | US | disclosed |
| EP-0129692-A2 | Dibenzodiazepin derivatives, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-01-02 | — | — | EP | disclosed |