Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 11/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.44 |
| ▸ | USP2 | O75604 | 9/20 | 0.44 |
| ▸ | LMNA | P02545 | 8/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | F7 | P08709 | 2/20 | 0.42 |
| ▸ | F3 | P13726 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8345604 | 0.93 | CYP1A2 (0.43) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL6027418 | 0.91 | F7 (0.52) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL5142448 | 0.84 | F7 (0.51) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL8347996 | 0.70 | F7 (0.68) | F7F3F2F10PRSS1 | |
| SCHEMBL6089957 | 0.69 | F7 (0.55) | F7F3F2F10PRSS1 | |
| SCHEMBL8349064 | 0.68 | F7 (0.83) | F7F3F2F10PRSS1 | |
| SCHEMBL4866306 | 0.68 | CYP1A2 (0.73) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL6027639 | 0.67 | EGFR (0.59) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL5883100 | 0.66 | F10 (0.50) | ALDH1A1HSD17B10LMNAF7F3 | |
| SCHEMBL5882051 | 0.66 | F7 (0.71) | F7F3F2F10PRSS1 |
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-2004072101-A2 | PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-08-26 | — | — | WO | disclosed |