Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.41 |
| ▸ | RORC | P51449 | 3/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20003024 | 0.92 | NOTUM (0.44) | NOTUMAKR1C3HSD11B1CCR5MAPT | |
| SCHEMBL20002879 | 0.86 | NPC1 (0.44) | CCR5L3MBTL1KMT2ARAB9AGRIN1 | |
| SCHEMBL20002936 | 0.85 | CCR5 (0.46) | AKR1C3HSD11B1CCR5MAPTKMT2A | |
| SCHEMBL20002407 | 0.85 | SMN1; SMN2 (0.41) | AKR1C3CCR5KMT2ARAB9AGRIN1 | |
| SCHEMBL20002327 | 0.84 | MAOA (0.45) | NOTUMAKR1C3HSD11B1RORCMAPT | |
| SCHEMBL20002612 | 0.82 | RORC (0.36) | NOTUMRORCCCR5KMT2ARAB9A | |
| SCHEMBL20002294 | 0.81 | PTPN11 (0.36) | RORCCCR5KMT2AGRIN1GRIN2B | |
| SCHEMBL20002972 | 0.81 | L3MBTL1 (0.41) | NOTUMHSD11B1RORCMAPTL3MBTL1 | |
| SCHEMBL20003026 | 0.79 | RORC (0.47) | NOTUMHSD11B1RORCCCR5MAPT | |
| SCHEMBL20002255 | 0.79 | CCR5 (0.49) | HSD11B1RORCCCR5KMT2A |
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 |