Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.53 |
| ▸ | AGXT | P21549 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002817 | 0.86 | RORC (0.41) | IDO1AGXTRORCRIPK1NR3C1 | |
| SCHEMBL16886252 | 0.85 | IDO1 (0.51) | IDO1AGXTMAOBRORCRIPK1 | |
| SCHEMBL13882408 | 0.84 | IDO1 (0.58) | IDO1AGXTMAOBRORCRIPK1 | |
| SCHEMBL20002764 | 0.80 | NR3C1 (0.46) | IDO1RORCMAPK14NR3C1PGR | |
| SCHEMBL20002788 | 0.77 | RORC (0.36) | RORCRIPK1 | |
| SCHEMBL10202639 | 0.74 | IDO1 (0.55) | IDO1AGXTMAOBRIPK1GSK3B | |
| SCHEMBL706473 | 0.74 | IDO1 (0.64) | IDO1AGXTMAOBRIPK1GSK3B | |
| SCHEMBL16886255 | 0.73 | IDO1 (0.41) | IDO1AGXTRORCRIPK1NR3C1 | |
| SCHEMBL29467207 | 0.73 | IDO1 (0.69) | IDO1AGXTMAOBGSK3BBACE1 | |
| SCHEMBL27106193 | 0.71 | IDO1 (0.56) | IDO1AGXTMAOBRIPK1GSK3B |
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 |