Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002255 | 0.82 | CCR5 (0.49) | KMT2ACCR5HSD11B1RORC | |
| SCHEMBL20002719 | 0.79 | HSD11B1 (0.48) | KMT2AHSD11B1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL20003196 | 0.79 | HSD11B1 (0.48) | KMT2AHSD11B1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL20002972 | 0.74 | L3MBTL1 (0.41) | KMT2AHSD11B1RORCGRIN1GRIN2B | |
| SCHEMBL20002936 | 0.73 | CCR5 (0.46) | KMT2ACCR5HSD11B1SMN1; SMN2GRIN1 | |
| SCHEMBL20002879 | 0.72 | NPC1 (0.44) | KMT2ACCR5ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL20003220 | 0.71 | RORC (0.41) | KMT2ACCR5HSD11B1ALDH1A1SMN1; SMN2 | |
| SCHEMBL20003024 | 0.71 | NOTUM (0.44) | KMT2ACCR5HSD11B1MGLLALDH1A1 | |
| SCHEMBL20002297 | 0.71 | NOTUM (0.47) | KMT2ACCR5HSD11B1MGLLRORC | |
| SCHEMBL20002407 | 0.71 | SMN1; SMN2 (0.41) | KMT2ACCR5TP53ALDH1A1LMNA |
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 |