Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002749 | 0.80 | SCN1A (0.34) | CES2CES1 | |
| SCHEMBL16886256 | 0.77 | SCN1A (0.31) | — | |
| SCHEMBL16892295 | 0.70 | CES2 (0.36) | CES2CES1 | |
| SCHEMBL9945893 | 0.65 | ACHE (0.37) | CES2CES1 | |
| SCHEMBL807556 | 0.64 | CES2 (0.41) | CES2CES1 | |
| SCHEMBL1604902 | 0.63 | ALDH1A1 (0.38) | CES2CES1 | |
| SCHEMBL28022516 | 0.63 | CES2 (0.43) | CES2CES1 | |
| SCHEMBL24498729 | 0.62 | KCNK3 (0.40) | — | |
| SCHEMBL4547921 | 0.62 | P2RX7 (0.42) | RORCCES2CES1 | |
| SCHEMBL1155196 | 0.61 | DRD2 (0.39) | — |
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 |