Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL8945959 | 0.85 | HDAC1 (0.35) | CYP2C19LTA4HSLC6A3 | |
| SCHEMBL8945988 | 0.79 | YTHDC1 (0.33) | YTHDC1MEN1NPC1ALDH1A1CYP1A2 | |
| SCHEMBL8946086 | 0.78 | RAD52 (0.41) | NPC1ALDH1A1CYP3A4RAB9ABACE1 | |
| SCHEMBL8946109 | 0.76 | YTHDC1 (0.32) | YTHDC1 | |
| SCHEMBL8945955 | 0.73 | TSHR (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A3 | |
| SCHEMBL8946074 | 0.71 | AR (0.34) | — | |
| SCHEMBL8945905 | 0.71 | YTHDC1 (0.33) | YTHDC1 | |
| SCHEMBL8945903 | 0.71 | LTA4H (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9001661 | 0.70 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL8946115 | 0.70 | SLC6A2 (0.31) | SLC6A3 |
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 |