Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 5/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.49 |
| ▸ | AR | P10275 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8598023 | 1.00 | ABCB1 (0.49) | ABCB1SIGMAR1MAOBADORA3AR | |
| SCHEMBL8598021 | 1.00 | ABCB1 (0.49) | ABCB1SIGMAR1MAOBADORA3AR | |
| SCHEMBL8873822 | 0.83 | MAOB (0.53) | ABCB1SIGMAR1MAOBADORA3AR | |
| SCHEMBL8596185 | 0.83 | MAOB (0.53) | ABCB1SIGMAR1MAOBADORA3AR | |
| SCHEMBL6920340 | 0.82 | MAOB (0.51) | ABCB1SIGMAR1MAOBADORA3AR | |
| SCHEMBL28699130 | 0.81 | CYP19A1 (0.50) | ABCB1SIGMAR1MAOBADORA3AR | |
| SCHEMBL23662356 | 0.80 | MAOB (0.56) | ABCB1SIGMAR1MAOBADORA3AR | |
| SCHEMBL6828123 | 0.80 | MAOB (0.56) | ABCB1SIGMAR1MAOBADORA3AR | |
| SCHEMBL8597907 | 0.79 | CYP19A1 (0.56) | MAOBCYP19A1CYP3A4 | |
| SCHEMBL8597911 | 0.79 | CYP19A1 (0.56) | MAOBCYP19A1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5646173-A | ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-08 | — | — | US | disclosed |