Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | PTPRC | P08575 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11108998 | 0.88 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL11108594 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL6016232 | 0.82 | KMT2A (0.43) | CYP3A4MAPTHSP90AA1SIRT2SIRT1 | |
| SCHEMBL11102634 | 0.81 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL11106321 | 0.81 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL11113554 | 0.79 | ATM (0.49) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL11105851 | 0.79 | AR (0.46) | MAPTS100A4ALDH1A1RECQL | |
| SCHEMBL11104414 | 0.79 | PPIA (0.38) | MAPTALDH1A1KMT2A | |
| SCHEMBL11107075 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL11108419 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A |
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-4463001-A | ANTIULCER AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1984-07-31 | — | — | US | disclosed |