Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.54 |
| ▸ | GAK | O14976 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 9/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.50 |
| ▸ | FLT1 | P17948 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27843809 | 0.80 | HDAC3 (0.45) | EGFRKDRHDAC3HDAC1HDAC6 | |
| SCHEMBL16295563 | 0.77 | ATM (0.47) | EGFRKDRHDAC3HDAC1HDAC6 | |
| SCHEMBL16295911 | 0.77 | ATM (0.47) | EGFRKDRHDAC3HDAC1HDAC6 | |
| SCHEMBL24353219 | 0.75 | EGFR (0.55) | EGFRGAKKDRHDAC3HDAC1 | |
| SCHEMBL29755923 | 0.74 | EGFR (0.60) | EGFRGAKKDRKDM1AFGFR1 | |
| SCHEMBL1438403 | 0.73 | MAP4K4 (0.52) | EGFRKDR | |
| SCHEMBL27941737 | 0.73 | EGFR (0.61) | EGFRGAKKDRKDM1AFGFR1 | |
| SCHEMBL3528731 | 0.73 | KDR (0.68) | EGFRKDR | |
| SCHEMBL5911734 | 0.73 | ENPP1 (0.52) | EGFRKDR | |
| SCHEMBL16660323 | 0.71 | EGFR (0.77) | EGFRGAKKDRHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102827087-B | Synthetic method of erlotinib | CHENGDU INST BIOLOGY CAS | 2015-03-25 | — | — | CN | disclosed |