Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.53 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002837 | 0.77 | RORC (0.49) | RORCEPHX2ALDH1A1SMN1; SMN2HTR2A | |
| SCHEMBL20003002 | 0.73 | TSHR (0.48) | RORCALDH1A1SMN1; SMN2NAMPT | |
| SCHEMBL20002690 | 0.72 | PRKAA2 (0.50) | RORCEPHX2ALDH1A1SMN1; SMN2HTR2A | |
| SCHEMBL14413535 | 0.72 | EPHX2 (0.47) | RORCEPHX2HTR2AHTR2CKCNH2 | |
| SCHEMBL13890294 | 0.71 | EPHX2 (0.50) | EPHX2HTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL20002244 | 0.70 | RORC (0.46) | RORCEPHX2HTR2AHTR2CKCNH2 | |
| SCHEMBL19702674 | 0.70 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL16886812 | 0.70 | RORC (1.00) | RORC | |
| SCHEMBL20002714 | 0.70 | RORC (0.51) | RORCEPHX2ALDH1A1HTR2AHTR2C | |
| SCHEMBL20002448 | 0.70 | EPHX2 (0.44) | RORCEPHX2ALDH1A1HTR2AHTR2C |
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 |