Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 3/20 | 0.44 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL857502 | 0.90 | NPC1 (0.63) | NPC1MEN1KMT2ARAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL2176643 | 0.89 | NPC1 (0.61) | NPC1MEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL12487147 | 0.87 | NPC1 (0.64) | NPC1MEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL2194198 | 0.80 | JAK2 (0.56) | NPC1TP53MAPK1MAPK10MAPK14 | |
| SCHEMBL414719 | 0.77 | MEN1 (0.70) | NPC1MEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL2174012 | 0.77 | SCN9A (0.61) | NPC1MEN1KMT2ARAB9AEGFR | |
| SCHEMBL2283204 | 0.76 | NPC1 (0.68) | NPC1MEN1KMT2AMKNK1EGFR | |
| SCHEMBL3952295 | 0.76 | EGFR (0.66) | NPC1MEN1KMT2ACYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL2176150 | 0.75 | NPC1 (0.66) | NPC1MEN1KMT2AMKNK1EGFR | |
| SCHEMBL690494 | 0.75 | EGFR (0.56) | NPC1MEN1KMT2ARAB9AALDH1A1 |
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-104844526-B | A kind of 4,6- pyrimidinediamines class compound and its preparation method and application | 温州医科大学 | 2018-08-31 | — | — | CN | disclosed |