Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.49 |
| ▸ | MAP3K8 | P41279 | 3/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.47 |
| ▸ | KIT | P10721 | 2/20 | 0.47 |
| ▸ | BRAF | P15056 | 2/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.47 |
| ▸ | SRC | P12931 | 2/20 | 0.47 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | CIT | O14578 | 1/20 | 0.47 |
| ▸ | GAK | O14976 | 1/20 | 0.47 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.47 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.47 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.47 |
| ▸ | STK17B | O94768 | 1/20 | 0.47 |
| ▸ | STK10 | O94804 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30213858 | 0.94 | EGFR (0.49) | EGFRMAP3K8KDRERBB2KIT | |
| SCHEMBL28539842 | 0.83 | AXL (0.48) | EGFRMAP3K8KDRERBB2BRAF | |
| SCHEMBL30213685 | 0.83 | EGFR (0.60) | EGFRERBB2 | |
| SCHEMBL30213670 | 0.83 | EGFR (0.54) | EGFRMAP3K8KDRERBB2KIT | |
| SCHEMBL30213859 | 0.81 | EGFR (0.57) | EGFRERBB2KCNH2 | |
| SCHEMBL30213773 | 0.80 | EGFR (0.49) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL30213765 | 0.80 | EGFR (0.54) | EGFRMAP3K8KDRERBB2KIT | |
| SCHEMBL30213753 | 0.79 | EGFR (0.47) | EGFRKDRKITBRAFABL1 | |
| SCHEMBL30213708 | 0.77 | EGFR (0.57) | EGFRERBB2 | |
| SCHEMBL28544401 | 0.76 | KDR (0.38) | KDRBRAFEPHB4 |
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-112574177-B | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2023-01-31 | — | — | CN | disclosed |