Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5250855 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GLAKDM4E | |
| SCHEMBL13617483 | 0.69 | ERCC1 (0.53) | ALDH1A1GLADAOERCC1ERCC4 | |
| SCHEMBL1200250 | 0.63 | KDM4E (0.53) | ALDH1A1GLAKDM4E | |
| Ammonia Solution, Strong SCHEMBL7123916 | 0.63 | GAA (0.48) | ALDH1A1 | |
| SCHEMBL7416050 | 0.60 | DAO (0.33) | DAOERCC1ERCC4DYRK1A | |
| SCHEMBL3214901 | 0.59 | ALDH1A1 (0.49) | ALDH1A1GLAKDM4E | |
| SCHEMBL2337582 | 0.59 | ERCC1 (0.45) | ALDH1A1GLADAOERCC1ERCC4 | |
| SCHEMBL16654409 | 0.56 | DAO (0.33) | ALDH1A1GLADAOERCC1ERCC4 | |
| SCHEMBL7422492 | 0.55 | DAO (0.35) | ALDH1A1GLADAOERCC1ERCC4 | |
| SCHEMBL1853196 | 0.55 | — | — |
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-2010026075-A1 | PYRIDINE DERIVATIVES AS INHIBITORS OF HIV-I REVERSE TRANSCRIPTASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-11 | — | — | WO | disclosed |