Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002992 | 1.00 | PDK1 (0.41) | PDK1RORCCYP19A1AKR1C3GRIN1 | |
| SCHEMBL20002879 | 0.77 | NPC1 (0.44) | GRIN1GRIN2BALDH1A1KMT2ACCR5 | |
| SCHEMBL20003024 | 0.76 | NOTUM (0.44) | AKR1C3GRIN1GRIN2BALDH1A1KMT2A | |
| SCHEMBL20002297 | 0.76 | NOTUM (0.47) | RORCAKR1C3GRIN1GRIN2BKMT2A | |
| SCHEMBL20002407 | 0.76 | SMN1; SMN2 (0.41) | AKR1C3GRIN1GRIN2BALDH1A1KMT2A | |
| SCHEMBL20002936 | 0.76 | CCR5 (0.46) | AKR1C3GRIN1GRIN2BKMT2ACCR5 | |
| SCHEMBL28133029 | 0.74 | PDK1 (0.62) | PDK1RORCALOX5APFEN1KMT2A | |
| SCHEMBL27785370 | 0.74 | PDK1 (0.62) | PDK1RORCALOX5APFEN1KMT2A | |
| SCHEMBL28132263 | 0.74 | PDK1 (0.62) | PDK1RORCALOX5APFEN1KMT2A | |
| SCHEMBL20002294 | 0.73 | PTPN11 (0.36) | RORCGRIN1GRIN2BKMT2ACCR5 |
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 |