Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9580964 | 0.97 | CYP2C9 (0.51) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL9463271 | 0.93 | NR3C2 (0.44) | ALDH1A1HPGDAXLNR3C2NPSR1 | |
| SCHEMBL9140284 | 0.89 | NR3C2 (0.44) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL9467948 | 0.88 | NR3C2 (0.62) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL9468051 | 0.87 | MAPT (0.56) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL9463382 | 0.87 | NR3C2 (0.51) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL9463384 | 0.86 | NR3C2 (0.54) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL9463356 | 0.86 | NR3C2 (0.47) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL9385237 | 0.82 | NR3C2 (0.42) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL9401552 | 0.81 | KDM4E (0.54) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| JP-5222031-A | — | — | None | — | — | JP | disclosed |
| JP-H05222031-A | ARYL-QUINOLYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE-DICARBOXYLIC ACID DERIVATIVE, ITS PREPARATION AND ITS PHARMACEUTICAL USE | BAYER AG | 1993-08-31 | — | — | JP | disclosed |