Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD52 | P43351 | 2/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | PTPRB | P23467 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24534131 | 0.82 | PTPRB (0.41) | RAD52SOAT1PTPRBALDH1A1CYP3A4 | |
| SCHEMBL24534166 | 0.77 | PTPRB (0.47) | RAD52PTPRBTDP1NPC1RAB9A | |
| SCHEMBL24534181 | 0.73 | PTPRB (0.41) | PTPRBALDH1A1NPC1RAB9A | |
| SCHEMBL21914932 | 0.70 | PTPRB (0.47) | PTPRBBACE1NPC1RAB9A | |
| SCHEMBL22267911 | 0.69 | CCR3 (0.39) | RAD52SOAT1PTPRBALDH1A1CYP3A4 | |
| SCHEMBL19257745 | 0.69 | CCR3 (0.39) | RAD52SOAT1PTPRBALDH1A1CYP3A4 | |
| SCHEMBL7182179 | 0.68 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL24534174 | 0.67 | MEN1 (0.49) | PTPRBALDH1A1CYP3A4TDP1CYP19A1 | |
| SCHEMBL21914203 | 0.67 | PTPRB (0.48) | RAD52SOAT1PTPRBBACE1 | |
| SCHEMBL24534145 | 0.64 | RAB9A (0.41) | PTPRBALDH1A1NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5510346-A | ANTIDEPRESSANTS, ANTIANXIETY AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0322582-A2 | 4-Heteroaryl-1,3-Benzodiazepines and 2-substituted-alpha-(heteroaryl)benzeneethanamines, a process for their preparation and their use us medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-07-05 | — | — | EP | disclosed |