Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 13/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | GPR6 | P46095 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002321 | 1.00 | CCR5 (0.46) | CCR5RORCCYP11B1CYP11B2NR1I2 | |
| SCHEMBL20002221 | 0.90 | RORC (0.45) | CCR5RORCPKMEPHX2 | |
| SCHEMBL20003003 | 0.87 | EPHX2 (0.45) | CCR5RORCGPR6PKMEPHX2 | |
| SCHEMBL20002563 | 0.87 | EPHX2 (0.45) | PKMEPHX2 | |
| SCHEMBL20003234 | 0.86 | HTR2A (0.45) | RORCPKMEPHX2 | |
| SCHEMBL20002251 | 0.86 | RORC (0.52) | CCR5RORCCYP11B1CYP11B2NR1I2 | |
| SCHEMBL20003035 | 0.85 | HTR2A (0.44) | CCR5RORCGPR6PKMEPHX2 | |
| SCHEMBL20002459 | 0.85 | RORC (0.51) | RORCPKMEPHX2 | |
| SCHEMBL20002322 | 0.85 | PKM (0.60) | RORCPKMEPHX2 | |
| SCHEMBL20002346 | 0.84 | RORC (0.50) | RORCPKMEPHX2 |
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 |