Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 7/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002936 | 0.79 | CCR5 (0.46) | CCR5HDAC3HDAC1HDAC2DPP4 | |
| SCHEMBL20003220 | 0.79 | RORC (0.41) | RORCCCR5DPP4DPP7KCNH2 | |
| SCHEMBL20002823 | 0.79 | CCR5 (0.38) | CCR5HDAC3HDAC1HDAC2KMT2A | |
| SCHEMBL20002255 | 0.78 | CCR5 (0.49) | RORCCCR5HDAC3HDAC1HDAC2 | |
| SCHEMBL20003154 | 0.78 | RORC (0.39) | RORCCCR5KMT2A | |
| SCHEMBL20003191 | 0.76 | RORC (0.41) | RORCCCR5KMT2A | |
| SCHEMBL20002294 | 0.76 | PTPN11 (0.36) | RORCCCR5DPP4DPP8DPP9 | |
| SCHEMBL20002375 | 0.75 | RORC (0.41) | RORCCCR5HDAC1HDAC2DPP4 | |
| SCHEMBL20003152 | 0.74 | RAB9A (0.34) | CCR5KMT2A | |
| SCHEMBL20003131 | 0.74 | RORC (0.46) | RORCCCR5KMT2A |
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 |