Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002297 | 0.92 | NOTUM (0.47) | NOTUMMAPTHSD11B1KMT2ACCR5 | |
| SCHEMBL20002879 | 0.83 | NPC1 (0.44) | KMT2ACCR5GRIN1GRIN2BNPC1 | |
| SCHEMBL20002407 | 0.82 | SMN1; SMN2 (0.41) | RIPK1KMT2ACCR5GRIN1GRIN2B | |
| SCHEMBL20002936 | 0.82 | CCR5 (0.46) | MAPTHSD11B1KMT2ACCR5GRIN1 | |
| SCHEMBL20002972 | 0.81 | L3MBTL1 (0.41) | NOTUMMAPTHSD11B1KMT2AGRIN1 | |
| SCHEMBL20002719 | 0.81 | HSD11B1 (0.48) | HSD11B1KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL20003196 | 0.81 | HSD11B1 (0.48) | HSD11B1KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL20002612 | 0.80 | RORC (0.36) | NOTUMRIPK1KMT2ACCR5GRIN1 | |
| SCHEMBL20002294 | 0.78 | PTPN11 (0.36) | RIPK1KMT2ACCR5GRIN1GRIN2B | |
| SCHEMBL4097076 | 0.78 | CCR5 (0.42) | NOTUMHSD11B1KMT2ACCR5GRIN1 |
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 |