Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27578379 | 0.74 | PIM1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL27557995 | 0.70 | PIM1 (0.30) | — | |
| SCHEMBL5025174 | 0.70 | SMN1; SMN2 (0.38) | ALDH1A1HSD17B10 | |
| SCHEMBL413204 | 0.69 | — | — | |
| SCHEMBL13716221 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL466542 | 0.69 | — | — | |
| SCHEMBL27557994 | 0.67 | — | — | |
| SCHEMBL11681717 | 0.67 | — | — | |
| SCHEMBL27822267 | 0.65 | — | — | |
| SCHEMBL3558039 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0254097-A2 | Catalyst mixtures for polyisocyanurate foam | THE CELOTEX CORPORATION (US) | 1988-01-27 | — | — | EP | disclosed |