Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5273988 | 0.81 | CYP1A2 (0.33) | CYP1A2CYP2C19POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL5275214 | 0.81 | CYP1A2 (0.30) | CYP1A2CYP2C19POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL5276943 | 0.78 | ALDH1A1 (0.31) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL5281036 | 0.78 | CYP1A2 (0.32) | CYP1A2CYP2C19POLB | |
| SCHEMBL5274683 | 0.78 | — | — | |
| SCHEMBL18812292 | 0.77 | HPGD (0.30) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL5285992 | 0.77 | TOP2A (0.32) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL5277672 | 0.77 | CYP1A2 (0.33) | CYP1A2CYP2C19POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL5277217 | 0.77 | HPGD (0.30) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL5274732 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767687-B2 | Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors | BIOGEN IDEC MA INC. (US) | 2010-08-03 | — | — | US | disclosed |
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |