Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 14/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.61 |
| ▸ | LMNA | P02545 | 6/20 | 0.61 |
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | USP2 | O75604 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL13504222 | 0.83 | CLK4 (0.68) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4554748 | 0.82 | MAP4K4 (0.54) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15917642 | 0.80 | CLK4 (0.45) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20511459 | 0.79 | MAPT (0.57) | CLK4TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL30268041 | 0.78 | CYP1A2 (0.56) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1666752 | 0.78 | CYP1A2 (0.64) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2518146 | 0.78 | CCNK (0.56) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3452299 | 0.78 | CYP1A2 (0.69) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4861102 | 0.78 | CYP1A2 (0.56) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5752435 | 0.78 | CYP1A2 (0.56) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 |
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-104262263-B | N,6 diphenylpyrimidine-4-amine Bcr-Abl inhibitors as well as preparation method and application thereof | 西安交通大学 | 2017-01-11 | — | — | CN | disclosed |