Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16637562 | 0.85 | HCAR2 (0.34) | — | |
| SCHEMBL28818826 | 0.76 | ALDH1A1 (0.33) | ALDH1A1F2GLAHPGDEGFR | |
| SCHEMBL27718543 | 0.74 | CYP2A6 (0.53) | ALDH1A1ALOX5 | |
| SCHEMBL6224494 | 0.73 | POLB (0.42) | ALDH1A1HPGDEGFRMAPT | |
| SCHEMBL4800245 | 0.73 | CSNK2A1 (0.46) | ALDH1A1HPGDMAPT | |
| SCHEMBL4908387 | 0.71 | ALDH1A1 (0.42) | ALDH1A1GLAMAPT | |
| SCHEMBL29728017 | 0.71 | ALDH1A1 (0.42) | ALDH1A1GLAMAPT | |
| SCHEMBL27586723 | 0.71 | CYP2A6 (0.53) | ALDH1A1GLAHPGDMAPTCA2 | |
| SCHEMBL5073476 | 0.70 | DAPK3 (0.49) | — | |
| SCHEMBL30396687 | 0.70 | DAPK3 (0.49) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104011054-A | Thieno- and furo-pyrimidines and pyridines, useful as potassium channel inhibitors | XENTION LTD | 2014-08-27 | — | — | CN | disclosed |
| CN-102869669-A | Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions | BOEHRINGER INGELHEIM INT | 2013-01-09 | — | — | CN | disclosed |
| CN-102186857-A | Thienopyrimidines for pharmaceutical compositions | BOEHRINGER INGELHEIM INT | 2011-09-14 | — | — | CN | disclosed |