Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5077890 | 0.81 | EGFR (0.51) | EGFRMELKALDH1A1PIK3CDPIK3CA | |
| SCHEMBL737948 | 0.75 | EGFR (0.55) | EGFRALDH1A1PIK3CDPIK3CAFGFR4 | |
| SCHEMBL30618089 | 0.75 | EGFR (0.55) | EGFRPIK3CDPIK3CAFGFR4 | |
| SCHEMBL30853054 | 0.75 | EGFR (0.55) | EGFRPIK3CDPIK3CAFGFR4 | |
| SCHEMBL2011007 | 0.75 | EGFR (0.55) | EGFRALDH1A1PIK3CDPIK3CAFGFR4 | |
| SCHEMBL3393275 | 0.75 | EGFR (0.55) | EGFRPIK3CDPIK3CAFGFR4 | |
| SCHEMBL23781564 | 0.74 | ALDH1A1 (0.71) | CYP2C19CYP2A6CYP2E1CYP2B6CYP1A2 | |
| Hydrochloric Acid SCHEMBL30376208 | 0.73 | EGFR (0.53) | EGFRPIK3CDPIK3CAFGFR4 | |
| SCHEMBL27788810 | 0.73 | EGFR (0.53) | EGFRPIK3CDPIK3CAFGFR4 | |
| SCHEMBL4800450 | 0.73 | EGFR (0.45) | EGFRPIK3CDPIK3CAFGFR4 |
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-6284764-B1 | ANTIPROLIFERATIVE AGENT | PFIZER INC. | 2001-09-04 | — | — | US | disclosed |