Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15744046 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL15780616 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP2D6 | |
| SCHEMBL12320902 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2D6 | |
| SCHEMBL64735 | 0.75 | CYP1A2 (0.52) | CYP1A2CYP2D6 | |
| SCHEMBL1070327 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4278423 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2D6 | |
| Iodide SCHEMBL1092039 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL2237701 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2D6 | |
| SCHEMBL6034947 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7707068 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP2D6 |
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-3029461-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2016-06-08 | — | — | EP | disclosed |