Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | CBFB | Q13951 | 2/20 | 0.38 |
| ▸ | SCD | O00767 | 2/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6915733 | 0.90 | CYP2C9 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL12689566 | 0.88 | CYP2C9 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1822351 | 0.85 | CBFB (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19CBFB | |
| SCHEMBL6915845 | 0.83 | CBFB (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6916201 | 0.81 | METAP1 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6925491 | 0.80 | GRM4 (0.51) | KDM4EKMT2AGRM4 | |
| SCHEMBL6915101 | 0.80 | CBFB (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6915094 | 0.79 | EGLN1 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL12689585 | 0.79 | SCD (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6916466 | 0.77 | CBFB (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19CBFB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8912336-B2 | Aryl and heteroaryl sulfones as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction | VANDERBILT UNIVERSITY (US) | 2014-12-16 | — | — | US | disclosed |
| WO-2011057208-A2 | ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION | VANDERBILT UNIVERSITY (US) | 2011-05-12 | — | — | WO | disclosed |