Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9866821 | 0.83 | MAOA (0.54) | EPHX1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13208845 | 0.83 | CYP2D6 (0.46) | EPHX1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30757891 | 0.81 | SCN4A (0.47) | EPHX1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13730908 | 0.81 | EPHX1 (0.61) | EPHX1CYP2D6SLC6A4SLC6A2TAAR1 | |
| SCHEMBL21065978 | 0.81 | EPHX1 (0.61) | EPHX1CYP2D6SLC6A4SLC6A2TAAR1 | |
| SCHEMBL5683174 | 0.79 | ANPEP (0.57) | EPHX1 | |
| SCHEMBL1168400 | 0.79 | EPHX1 (0.43) | EPHX1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12140622 | 0.79 | METAP2 (0.49) | EPHX1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2549520 | 0.79 | EPHX1 (0.43) | EPHX1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7114970 | 0.79 | EPHX1 (0.43) | EPHX1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020099596-A1 | NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 | UNIVERSITE DE ROUEN NORMANDIE (FR) | 2020-05-22 | — | — | WO | disclosed |