Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL879744 | 0.83 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL16104699 | 0.83 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL8793536 | 0.80 | TDP1 (0.40) | ALDH1A1TSHR | |
| SCHEMBL1369989 | 0.73 | HPGD (0.36) | ALDH1A1HPGD | |
| SCHEMBL16302303 | 0.71 | — | — | |
| SCHEMBL19450815 | 0.71 | KDM1A (0.35) | — | |
| SCHEMBL14303623 | 0.71 | PDE3B (0.35) | S1PR1 | |
| SCHEMBL1369721 | 0.70 | HPGD (0.44) | ALDH1A1HPGDTSHR | |
| SCHEMBL9022447 | 0.68 | — | — | |
| SCHEMBL7257524 | 0.67 | CYP2A6 (0.44) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020244613-A1 | 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR | 北京泰德制药股份有限公司 | 2020-12-10 | — | — | WO | disclosed |