Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.57 |
| ▸ | GAK | O14976 | 3/20 | 0.57 |
| ▸ | FBP1 | P09467 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.54 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 2/20 | 0.52 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 2/20 | 0.52 |
| ▸ | BCR | P11274 | 2/20 | 0.52 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.52 |
| ▸ | BUB1 | O43683 | 2/20 | 0.52 |
| ▸ | STK10 | O94804 | 2/20 | 0.52 |
| ▸ | MAP3K1 | Q13233 | 2/20 | 0.52 |
| ▸ | PIP4K2C | Q8TBX8 | 2/20 | 0.52 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7017577 | 0.99 | EGFR (0.56) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL7022884 | 0.82 | EGFR (0.60) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL29110509 | 0.81 | EGFR (0.67) | EGFRFBP1ERBB2AURKAAURKB | |
| SCHEMBL4741962 | 0.81 | EGFR (0.58) | EGFRFBP1ALDH1A1MAPTERBB2 | |
| SCHEMBL13214883 | 0.80 | ABL1 (0.65) | EGFRALDH1A1MAPTERBB2ABL1 | |
| SCHEMBL7023791 | 0.80 | EGFR (0.49) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL7018724 | 0.79 | EGFR (0.59) | EGFRGAKFBP1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7021265 | 0.79 | FBP1 (0.48) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL7018558 | 0.78 | KDR (0.48) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL29110515 | 0.78 | EGFR (0.60) | EGFRMAPTERBB2ERBB4TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831829-B1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 2003-08-20 | — | — | EP | claimed |
| CN-1141298-A | Pyrimidine-fused heterocyclic compound anti-cancer agents | PFIZER (US) | 1997-01-29 | — | — | CN | claimed |
| CN-1141298-A | Pyrimidine-fused heterocyclic compound anti-cancer agents | PFIZER (US) | 1997-01-29 | — | — | CN | disclosed |