Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL21163789 | 1.00 | ROCK1 (0.50) | ROCK1EGFRROCK2MAPTMEN1 | |
| SCHEMBL21163791 | 0.89 | CYP1A2 (0.46) | EGFRMAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL21163838 | 0.87 | NTRK1 (0.44) | MAPTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL29808937 | 0.87 | KDR (0.46) | ROCK1EGFRMAPTCYP1A2CYP3A4 | |
| SCHEMBL28845395 | 0.87 | HTR3E (0.46) | ROCK1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL29808763 | 0.87 | NTRK1 (0.44) | MAPTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL29808731 | 0.87 | HTR3E (0.46) | ROCK1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL28953540 | 0.87 | KDR (0.46) | ROCK1EGFRMAPTCYP1A2CYP3A4 | |
| SCHEMBL21164017 | 0.87 | ROCK1 (0.45) | ROCK1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29808756 | 0.87 | ROCK1 (0.45) | ROCK1MAPTCYP1A2CYP3A4CYP2D6 |
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 |