Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL4417418 | 0.86 | EGFR (0.61) | EGFRFGFR4SCN5ASCN9APIK3CD | |
| SCHEMBL27468871 | 0.78 | CYP1A2 (0.52) | MAP4K4CYP1A2CYP2C9CYP2C19ABL1 | |
| SCHEMBL4412993 | 0.78 | EGFR (0.55) | EGFRMAP4K4ABL1FGFR4SCN5A | |
| SCHEMBL4147243 | 0.77 | EGFR (0.60) | EGFRFGFR4PIK3CDPIK3CA | |
| SCHEMBL4412557 | 0.77 | EGFR (0.61) | EGFRABL1FGFR4PIK3CDPIK3CA | |
| SCHEMBL5074400 | 0.77 | EGFR (0.56) | EGFRABL1FGFR4PIK3CDPIK3CA | |
| SCHEMBL28292983 | 0.73 | CYP2D6 (0.47) | EGFRMAP4K4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27399910 | 0.73 | EGFR (0.65) | EGFRFGFR4PIK3CDPIK3CA | |
| SCHEMBL10715309 | 0.73 | MAPT (0.54) | CYP1A2CYP2C9CYP2C19SCN5ASCN9A | |
| SCHEMBL29924283 | 0.73 | RHEB (0.52) | CYP1A2CYP2C9CYP2C19SCN5ASCN9A |
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-RE41065-E1 | Alkynl and azido-substituted 4-anilinoquinazolines | PFIZER, INC. (US) | 2009-12-29 | — | — | US | disclosed |