Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17725550 | 0.96 | ALDH1A1 (0.39) | CYP2D6CYP3A4CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL17713607 | 0.96 | NR5A1 (0.42) | CYP2D6CYP3A4CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL17713610 | 0.89 | NQO1 (0.40) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2582503 | 0.84 | RARB (0.38) | TSHR | |
| SCHEMBL2591095 | 0.84 | RARB (0.36) | TSHR | |
| SCHEMBL17713612 | 0.83 | APP (0.43) | MAPTALDH1A1NPC1KDM4EHSD17B10 | |
| SCHEMBL18296615 | 0.83 | APP (0.43) | MAPTALDH1A1NPC1KDM4EHSD17B10 | |
| SCHEMBL16978408 | 0.83 | RARB (0.33) | CYP2D6CYP3A4CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL12160874 | 0.81 | KDM4E (0.41) | CYP2D6CYP3A4RAB9ALMNAMAPT | |
| SCHEMBL16978409 | 0.81 | KDM4E (0.41) | CYP2D6CYP3A4RAB9ALMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016066494-A1 | HOLE-TRANSPORT MATERIALS FOR ORGANIC SOLAR CELLS OR ORGANIC OPTICAL SENSORS | BASF SE (DE) | 2016-05-06 | — | — | WO | disclosed |