Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28761541 | 0.80 | KDM4E (0.35) | BRS3KDM4EALDH1A1KMT2A | |
| SCHEMBL3618776 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL18649540 | 0.71 | CYP2A6 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL14833461 | 0.67 | CYP2A6 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL28436841 | 0.66 | AR (0.41) | — | |
| SCHEMBL3624702 | 0.64 | ADORA2A (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL25952921 | 0.62 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19BRS3 | |
| SCHEMBL3628999 | 0.61 | KDM4E (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL3626938 | 0.61 | KDM4E (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL3620056 | 0.61 | CYP17A1 (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19CYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1976918-A | 4,5-disubstituted-2-aryl pyrimidines | NEUROGEN CORP (US) | 2007-06-06 | — | — | CN | claimed |