Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPEPPS | P55786 | 3/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL8945879 | 0.99 | ALDH1A1 (0.39) | ALDH1A1MAPTNPEPPSCXCR4RIPK1 | |
| Water SCHEMBL8945872 | 0.99 | ALDH1A1 (0.39) | ALDH1A1MAPTNPEPPSCXCR4RIPK1 | |
| SCHEMBL8946051 | 0.84 | NPEPPS (0.37) | ALDH1A1MAPTNPEPPSCXCR4RIPK1 | |
| SCHEMBL8946119 | 0.83 | NPEPPS (0.39) | ALDH1A1MAPTNPEPPSCXCR4RIPK1 | |
| Hydrochloric Acid SCHEMBL8946103 | 0.82 | NPEPPS (0.36) | ALDH1A1MAPTNPEPPSCXCR4RIPK1 | |
| Hydrochloric Acid SCHEMBL8945986 | 0.82 | NPEPPS (0.36) | ALDH1A1MAPTNPEPPSCXCR4RIPK1 | |
| Hydrochloric Acid SCHEMBL8945945 | 0.81 | NPEPPS (0.38) | ALDH1A1MAPTNPEPPSCXCR4RIPK1 | |
| Dazepinil SCHEMBL499286 | 0.80 | CHRNB2 (0.40) | RIPK1CYP2D6MEN1RECQLKMT2A | |
| SCHEMBL8945898 | 0.79 | CYP19A1 (0.35) | DRD2L3MBTL1CYP2D6MEN1RECQL | |
| SCHEMBL11266015 | 0.77 | MAOA (0.43) | HPGDCYP2D6MEN1RECQLKMT2A |
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 2 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 | claimed |
| 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 |