Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16886264 | 0.84 | RORC (0.33) | RORCSYKAURKBINCENPKCNH3 | |
| SCHEMBL28267948 | 0.82 | KCNH3 (0.36) | RORCSYKAURKBINCENPNAMPT | |
| SCHEMBL18215020 | 0.80 | CYP3A4 (0.32) | RORCSYKAURKBINCENPKCNH3 | |
| SCHEMBL20233500 | 0.72 | GRM5 (0.36) | SYKAURKBINCENPNAMPTKCNH3 | |
| SCHEMBL28159337 | 0.72 | ALDH1A1 (0.37) | SYKAURKBINCENPKCNH3GABRA1 | |
| SCHEMBL30825711 | 0.72 | SYK (0.34) | SYKAURKBINCENPNAMPTKCNH3 | |
| SCHEMBL8709966 | 0.72 | SYK (0.34) | SYKAURKBINCENPNAMPTKCNH3 | |
| SCHEMBL242763 | 0.72 | — | — | |
| SCHEMBL28266378 | 0.69 | NAMPT (0.39) | SYKAURKBINCENPNAMPTKCNH3 | |
| SCHEMBL16638708 | 0.69 | APP (0.47) | SYKAURKBINCENPLOXL2 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |