Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | BCL6 | P41182 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21164016 | 1.00 | ROCK1 (0.37) | ROCK1ALDH1A1LMNAMAPK1USP2 | |
| SCHEMBL29808756 | 0.87 | ROCK1 (0.45) | ROCK1ALDH1A1LMNAMAPK1USP2 | |
| SCHEMBL21164017 | 0.87 | ROCK1 (0.45) | ROCK1ALDH1A1LMNAMAPK1USP2 | |
| SCHEMBL21163839 | 0.85 | MEN1 (0.48) | ROCK1ALDH1A1LMNAMAPK1USP2 | |
| SCHEMBL29809241 | 0.85 | SCN9A (0.45) | LMNACYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL21163820 | 0.85 | SCN9A (0.45) | LMNACYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL29808769 | 0.85 | MEN1 (0.48) | ROCK1ALDH1A1LMNAMAPK1USP2 | |
| SCHEMBL21163791 | 0.83 | CYP1A2 (0.46) | ALDH1A1LMNAMAPK1USP2CYP1A2 | |
| SCHEMBL21163838 | 0.82 | NTRK1 (0.44) | ALDH1A1LMNAMAPK1CYP1A2CYP3A4 | |
| SCHEMBL28845395 | 0.82 | HTR3E (0.46) | ROCK1LMNAMAPK1MAPTSMN1; SMN2 |
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-111065635-B | Novel pyrimidine derivatives as MTH1 inhibitors | 无锡安万生物科技有限公司 | 2022-07-22 | — | — | CN | disclosed |