Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.47 |
| ▸ | DRD4 | P21917 | 6/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.46 |
| ▸ | DRD1 | P21728 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.40 |
| ▸ | DRD5 | P21918 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10675874 | 0.87 | HRH4 (0.48) | DRD2DRD4NFKB1BLMNPSR1 | |
| SCHEMBL10621723 | 0.81 | PAK1 (0.55) | DRD2DRD4NFKB1BLMHRH4 | |
| SCHEMBL10620893 | 0.80 | HRH4 (0.50) | DRD2DRD4NFKB1BLMNPSR1 | |
| SCHEMBL10624214 | 0.80 | HRH4 (0.54) | DRD2DRD4HRH4DRD1MAPK1 | |
| SCHEMBL10674331 | 0.79 | HRH4 (0.45) | DRD2DRD4NFKB1BLMNPSR1 | |
| SCHEMBL10620864 | 0.79 | PAK1 (0.39) | DRD2DRD4NFKB1BLMNPSR1 | |
| SCHEMBL10685254 | 0.78 | HRH4 (0.53) | DRD2DRD4NFKB1BLMNPSR1 | |
| SCHEMBL10623780 | 0.77 | DRD2 (0.45) | DRD2DRD4HRH4DRD1MAPK1 | |
| SCHEMBL10679919 | 0.77 | DRD2 (0.61) | DRD2DRD4NFKB1BLMHRH4 | |
| SCHEMBL10690477 | 0.74 | DRD2 (0.40) | DRD2DRD4NFKB1BLMNPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4761412-A | Benzopyrrolobenzodiazepines and quinobenzodiazepines useful for the treatment of psychoses | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-08-02 | — | — | US | disclosed |
| US-4723003-A | ANTIPSYCHOTIC AGENTS, ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-02-02 | — | — | US | disclosed |
| US-4723007-A | ANALGESICS, ANTIPSYCHOTIC AGENTS; INTERMEDIATES FOR PROCESSING | 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 |