Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 8/20 | 0.51 |
| ▸ | METAP2 | P50579 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1822351 | 0.85 | CBFB (0.55) | METAP1METAP2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6915733 | 0.82 | CYP2C9 (0.46) | CYP1A2CYP3A4CYP2C19KDM4ECYP2D6 | |
| SCHEMBL6915839 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19KDM4ECYP2D6 | |
| SCHEMBL6925426 | 0.81 | METAP1 (0.52) | METAP1METAP2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL12689566 | 0.81 | CYP2C9 (0.47) | CYP1A2CYP3A4CYP2C19KDM4ECYP2D6 | |
| SCHEMBL12689481 | 0.80 | GRM4 (0.42) | METAP1CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL12689474 | 0.78 | EGLN1 (0.38) | CYP1A2CYP3A4CYP2C19KDM4ECYP2D6 | |
| SCHEMBL6915491 | 0.78 | CBFB (0.54) | METAP1METAP2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6915101 | 0.77 | CBFB (0.41) | CYP1A2CYP3A4CYP2C19KDM4ECYP2D6 | |
| SCHEMBL21067822 | 0.77 | CA12 (0.81) | METAP1METAP2CYP1A2CYP3A4CYP2C19 |
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 |