Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19930116 | 0.89 | PIP4K2C (0.41) | BCHEACHEPIP4K2CCLK2DYRK1A | |
| SCHEMBL19929908 | 0.81 | ALK (0.36) | BCHEACHEAPPADRA1DADRA1A | |
| SCHEMBL19929901 | 0.76 | BCHE (0.41) | BCHEACHEPIP4K2CCHRM2CLK2 | |
| SCHEMBL19929868 | 0.76 | JAK2 (0.43) | BCHEACHEPIP4K2CAPPMEN1 | |
| SCHEMBL19930112 | 0.70 | ALK (0.38) | BCHEACHEPIP4K2CAPPADRA1D | |
| SCHEMBL19929854 | 0.65 | ALK (0.37) | BCHEACHEAPPTRIM58 | |
| SCHEMBL18194338 | 0.64 | KHK (0.36) | SLKP2RX7MEN1KMT2AADRA1D | |
| SCHEMBL19930114 | 0.64 | ALK (0.46) | ADRA1A | |
| SCHEMBL5565405 | 0.64 | CHRM2 (0.59) | CHRM2CYP3A4P2RX7MEN1KMT2A | |
| SCHEMBL22754142 | 0.64 | PTK2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3290420-B1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | UNIV XIAMEN (CN) | 2020-12-09 | — | — | EP | disclosed |
| EP-3290420-A1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | Xiamen University (CN) | 2018-03-07 | — | — | EP | disclosed |