Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 3/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002669 | 1.00 | NOTUM (0.45) | NOTUMRORCAKR1C3MAPTHSD11B1 | |
| SCHEMBL20002958 | 0.95 | NOTUM (0.48) | NOTUMRORCAKR1C3MAPTHSD11B1 | |
| SCHEMBL20002957 | 0.95 | NOTUM (0.48) | NOTUMRORCAKR1C3MAPTHSD11B1 | |
| SCHEMBL20002341 | 0.90 | MAPT (0.48) | NOTUMRORCMAPTRAB9AKMT2A | |
| SCHEMBL20002250 | 0.90 | MAPT (0.48) | NOTUMRORCMAPTRAB9AKMT2A | |
| SCHEMBL20002751 | 0.88 | NOTUM (0.42) | NOTUMRORCMAPTL3MBTL1 | |
| SCHEMBL20003049 | 0.85 | AKR1C3 (0.51) | AKR1C3HSD11B1LMNAKMT2AALDH1A1 | |
| SCHEMBL20002167 | 0.85 | KDM1A (0.40) | RORCAKR1C3RAB9ALMNAALDH1A1 | |
| SCHEMBL20002280 | 0.85 | TACR1 (0.40) | RORCAKR1C3HSD11B1 | |
| SCHEMBL20002773 | 0.85 | RORC (0.44) | NOTUMRORCMAPTHSD11B1RAB9A |
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 |