Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GPR6 | P46095 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL20003234 | 0.88 | HTR2A (0.45) | EPHX2HTR2AHTR2CKCNH2PKM | |
| SCHEMBL20003003 | 0.86 | EPHX2 (0.45) | EPHX2HTR2AHTR2CKCNH2PKM | |
| SCHEMBL20002563 | 0.86 | EPHX2 (0.45) | EPHX2HTR2AHTR2CKCNH2PKM | |
| SCHEMBL20002459 | 0.84 | RORC (0.51) | EPHX2HTR2AHTR2CKCNH2PKM | |
| SCHEMBL20002321 | 0.84 | CCR5 (0.46) | EPHX2PKMCCR5RORCGPR6 | |
| SCHEMBL20002322 | 0.84 | PKM (0.60) | EPHX2HTR2AHTR2CKCNH2PKM | |
| SCHEMBL20003053 | 0.84 | CCR5 (0.46) | EPHX2PKMCCR5RORCGPR6 | |
| SCHEMBL20002221 | 0.84 | RORC (0.45) | EPHX2HTR2AHTR2CKCNH2PKM | |
| SCHEMBL20002933 | 0.83 | RORC (0.46) | EPHX2HTR2AHTR2CKCNH2PKM | |
| SCHEMBL20003031 | 0.82 | EPHX2 (0.44) | EPHX2HTR2AHTR2CKCNH2PKM |
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 |