Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8908809 | 0.90 | HRH3 (0.50) | — | |
| SCHEMBL9835310 | 0.85 | CYP3A4 (0.55) | CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7925377 | 0.83 | SLC6A1 (0.65) | — | |
| SCHEMBL7925381 | 0.83 | SLC6A1 (0.65) | — | |
| SCHEMBL9836009 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7917401 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7917405 | 0.82 | — | — | |
| SCHEMBL8908065 | 0.81 | HRH3 (0.48) | CYP3A4CYP1A2CYP2D6KDM4E | |
| SCHEMBL9085830 | 0.80 | SLC6A1 (0.74) | — | |
| SCHEMBL9084388 | 0.79 | SLC6A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0502031-B1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION | NOVO NORDISK AS (DK) | 1997-08-20 | — | — | EP | claimed |