Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL9230745 | 0.85 | ALOX5 (0.36) | ALDH1A1ADORA3ADORA1 | |
| SCHEMBL9083868 | 0.78 | EDNRB (0.39) | — | |
| SCHEMBL9401416 | 0.76 | CYP1A2 (0.42) | ALDH1A1ADORA3CYP1A2ADORA1 | |
| SCHEMBL13851482 | 0.74 | ALOX5 (0.44) | ALDH1A1CYP1A2 | |
| SCHEMBL9082975 | 0.74 | ALOX5 (0.44) | ALDH1A1CYP1A2 | |
| SCHEMBL16160330 | 0.74 | CYP1A2 (0.44) | ALDH1A1ADORA3CYP1A2ADORA1 | |
| SCHEMBL13851483 | 0.74 | ALOX5 (0.44) | ALDH1A1CYP1A2 | |
| SCHEMBL9388253 | 0.72 | LMNA (0.38) | ALDH1A1ADORA3CYP1A2ADORA1 | |
| SCHEMBL9388237 | 0.71 | ADORA3 (0.41) | ALDH1A1ADORA3ADORA1 | |
| SCHEMBL9388381 | 0.71 | ALDH1A1 (0.34) | ALDH1A1CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0601155-A1 | PYRIMIDINYL-AND TRIAZINYL COMPOUNDS WITH HERBICIDAL ACTIVITY | Novartis AG (CH) | 1994-06-15 | — | — | EP | claimed |
| WO-1993025540-A1 | PYRIMIDINYL-AND TRIAZINYL COMPOUNDS WITH HERBICIDAL ACTIVITY | CIBA-GEIGY AG (CH) | 1993-12-23 | — | — | WO | claimed |
| US-5482920-A | Triazinyl compounds with herbicidal activity | CIBA-GEIGY CORPORATION (US) | 1996-01-09 | — | — | US | disclosed |
| EP-0601155-A1 | PYRIMIDINYL-AND TRIAZINYL COMPOUNDS WITH HERBICIDAL ACTIVITY | Novartis AG (CH) | 1994-06-15 | — | — | EP | disclosed |
| WO-1993025540-A1 | PYRIMIDINYL-AND TRIAZINYL COMPOUNDS WITH HERBICIDAL ACTIVITY | CIBA-GEIGY AG (CH) | 1993-12-23 | — | — | WO | disclosed |