Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.30 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8344707 | 1.00 | ALDH1A1 (0.33) | ALDH1A1EPAS1GABRR1GABRR2CYP1A2 | |
| SCHEMBL19052675 | 0.95 | — | — | |
| SCHEMBL26707814 | 0.91 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL5341577 | 0.84 | — | — | |
| SCHEMBL14087643 | 0.82 | CYP1A2 (0.38) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL11854434 | 0.80 | CYP1A2 (0.37) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL18884278 | 0.80 | CYP1A2 (0.37) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL3536905 | 0.80 | CYP1A2 (0.41) | ALDH1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11856365 | 0.78 | CYP1A2 (0.40) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL26768887 | 0.78 | — | — |
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-1663398-B1 | COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND SEROTONIN / NORADRENALINE REUPTAKE INHIBITORS | PFIZER LTD (GB) | 2009-11-25 | — | — | EP | disclosed |