Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.66 |
| ▸ | GAK | O14976 | 3/20 | 0.66 |
| ▸ | FBP1 | P09467 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.60 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.60 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.60 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.60 |
| ▸ | BUB1 | O43683 | 2/20 | 0.60 |
| ▸ | STK10 | O94804 | 2/20 | 0.60 |
| ▸ | MAP3K1 | Q13233 | 2/20 | 0.60 |
| ▸ | PIP4K2C | Q8TBX8 | 2/20 | 0.60 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.60 |
| ▸ | AURKA | O14965 | 2/20 | 0.60 |
| ▸ | PLK4 | O00444 | 1/20 | 0.60 |
| ▸ | CIT | O14578 | 1/20 | 0.60 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.60 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.60 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.60 |
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 SCHEMBL7535035 | 0.99 | EGFR (0.65) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL27476044 | 0.91 | EGFR (0.67) | EGFRGAKFBP1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7657129 | 0.90 | EGFR (0.66) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL868020 | 0.85 | EGFR (0.68) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL2607975 | 0.85 | EGFR (0.72) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL27529543 | 0.84 | EGFR (0.69) | EGFRGAKFBP1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1507507 | 0.83 | EGFR (0.67) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL23934778 | 0.81 | EGFR (0.67) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL809971 | 0.81 | EGFR (0.67) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL2607974 | 0.81 | EGFR (0.67) | EGFRGAKFBP1ALDH1A1MAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3290666-B2 | — | — | 2002-06-10 | — | — | JP | claimed |
| EP-0831829-A4 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 1998-11-25 | — | — | EP | claimed |
| EP-0831829-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1998-04-01 | — | — | EP | claimed |
| CN-1141298-A | Pyrimidine-fused heterocyclic compound anti-cancer agents | PFIZER (US) | 1997-01-29 | — | — | CN | claimed |
| WO-1996040142-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1996-12-19 | — | — | WO | claimed |
| US-6395733-B1 | ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS | PFIZER INC | 2002-05-28 | — | — | US | disclosed |
| EP-0831829-A4 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 1998-11-25 | — | — | EP | disclosed |
| EP-0831829-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| CN-1141298-A | Pyrimidine-fused heterocyclic compound anti-cancer agents | PFIZER (US) | 1997-01-29 | — | — | CN | disclosed |
| WO-1996040142-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1996-12-19 | — | — | WO | disclosed |