Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.53 |
| ▸ | FADS1 | O60427 | 3/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | PRNP | P04156 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.48 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.48 |
| ▸ | CD38 | P28907 | 1/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 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 | |
|---|---|---|---|---|
| SCHEMBL6643061 | 0.80 | NPC1 (0.59) | EGFRFADS1ERBB2KDM4EMEN1 | |
| SCHEMBL28708933 | 0.79 | EGFR (0.47) | EGFRFADS1ERBB2KDM4EMEN1 | |
| SCHEMBL1096684 | 0.77 | EGFR (0.57) | EGFRFADS1ERBB2KDM4EMEN1 | |
| SCHEMBL31357045 | 0.76 | MEN1 (0.53) | EGFRERBB2MEN1HTTKMT2A | |
| SCHEMBL26109543 | 0.76 | MEN1 (0.53) | EGFRERBB2MEN1HTTKMT2A | |
| SCHEMBL7044251 | 0.76 | PTGS1 (0.59) | FADS1ERBB2MEN1MAPTKMT2A | |
| SCHEMBL12655345 | 0.76 | TTBK1 (0.55) | EGFRERBB2TTBK1TTBK2 | |
| SCHEMBL8319107 | 0.75 | EGFR (0.60) | EGFRFADS1ERBB2KDM4EMEN1 | |
| SCHEMBL3948301 | 0.72 | CHRNB4 (0.49) | EGFRFADS1MAPTKMT2ALCK | |
| SCHEMBL4769590 | 0.71 | TTBK1 (0.60) | EGFRFADS1ERBB2KDM4EMEN1 |
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-114044774-A | EGFR inhibitor and preparation method and application thereof | 北京超维知药科技有限公司 | 2022-02-15 | — | — | CN | disclosed |