Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.62 |
| ▸ | KDR | P35968 | 6/20 | 0.62 |
| ▸ | RET | P07949 | 1/20 | 0.62 |
| ▸ | KIF5B | P33176 | 1/20 | 0.62 |
| ▸ | FLT1 | P17948 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.50 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.49 |
| ▸ | CLK1 | P49759 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27830021 | 0.84 | EGFR (0.65) | EGFRKDRRETKIF5BFLT1 | |
| SCHEMBL29368280 | 0.81 | EGFR (0.72) | EGFRKDRRETKIF5BFLT1 | |
| SCHEMBL27818375 | 0.81 | EGFR (0.60) | EGFRKDRRETKIF5BFLT1 | |
| SCHEMBL29058794 | 0.79 | EGFR (0.62) | EGFRKDRRETKIF5BFLT1 | |
| SCHEMBL31006585 | 0.79 | NPC1 (0.76) | EGFRKDRRETKIF5BFLT1 | |
| SCHEMBL29283856 | 0.79 | NPC1 (0.76) | EGFRKDRRETKIF5BFLT1 | |
| SCHEMBL13163890 | 0.78 | KDR (0.65) | EGFRKDRRETKIF5BFLT1 | |
| SCHEMBL28158745 | 0.77 | EGFR (0.74) | EGFRCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30264645 | 0.77 | EGFR (0.64) | EGFRKDRRETFLT1 | |
| SCHEMBL5864525 | 0.77 | KDR (1.00) | EGFRKDRRETKIF5BFLT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106317026-A | Compounds capable of inhibiting ErbB/HDAC and preparation method thereof, and pharmaceutical composition comprising compounds and application thereof | 清华大学深圳研究生院 | 2017-01-11 | — | — | CN | disclosed |
| CN-102153544-A | Preparation method and application of novel tyrosine kinase inhibitors | SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD | 2011-08-17 | — | — | CN | disclosed |