Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL18708803 | 0.67 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24861474 | 0.63 | CHEK1 (0.38) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17001172 | 0.61 | CRHR1 (0.40) | — | |
| SCHEMBL9915284 | 0.60 | KDM4E (0.31) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13225322 | 0.59 | — | — | |
| SCHEMBL17622820 | 0.59 | MAPK1 (0.34) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL409307 | 0.57 | — | — | |
| SCHEMBL15785947 | 0.57 | — | — | |
| SCHEMBL24504589 | 0.56 | — | — | |
| SCHEMBL16543930 | 0.55 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6 |
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-3150609-A1 | PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES | Intellikine, LLC (US) | 2017-04-05 | — | — | EP | disclosed |