Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.49 |
| ▸ | RORC | P51449 | 5/20 | 0.45 |
| ▸ | TACR1 | P25103 | 5/20 | 0.44 |
| ▸ | TACR2 | P21452 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | TACR3 | P29371 | 4/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | ACACA | Q13085 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002719 | 0.87 | HSD11B1 (0.48) | KMT2AHSD11B1 | |
| SCHEMBL20003196 | 0.87 | HSD11B1 (0.48) | KMT2AHSD11B1 | |
| SCHEMBL20002936 | 0.86 | CCR5 (0.46) | CCR5TACR1KMT2ATACR3HDAC3 | |
| SCHEMBL20002886 | 0.82 | KMT2A (0.40) | CCR5RORCKMT2AHSD11B1 | |
| SCHEMBL20002972 | 0.80 | L3MBTL1 (0.41) | RORCKMT2AHSD11B1 | |
| SCHEMBL20002297 | 0.79 | NOTUM (0.47) | CCR5RORCKMT2AHSD11B1 | |
| SCHEMBL20002430 | 0.78 | RORC (0.44) | CCR5RORCKMT2ANR1I2HDAC3 | |
| SCHEMBL20002879 | 0.77 | NPC1 (0.44) | CCR5KMT2A | |
| SCHEMBL20003220 | 0.76 | RORC (0.41) | CCR5RORCKMT2AHSD11B1 | |
| SCHEMBL20003024 | 0.76 | NOTUM (0.44) | CCR5KMT2AHSD11B1 |
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 |