Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002407 | 0.88 | SMN1; SMN2 (0.41) | NPC1RAB9ASMN1; SMN2KMT2ALMNA | |
| SCHEMBL20002936 | 0.88 | CCR5 (0.46) | SMN1; SMN2KMT2AKCNH2CCR5GRIN1 | |
| SCHEMBL20002297 | 0.86 | NOTUM (0.47) | NPC1RAB9AKMT2ACCR5GRIN1 | |
| SCHEMBL20002294 | 0.84 | PTPN11 (0.36) | KMT2AMAPK1CHRM2CCR5GRIN1 | |
| SCHEMBL20002612 | 0.83 | RORC (0.36) | NPC1RAB9AKMT2ACCR5GRIN1 | |
| SCHEMBL20003024 | 0.83 | NOTUM (0.44) | NPC1RAB9AKMT2AALDH1A1MEN1 | |
| SCHEMBL20002136 | 0.78 | GPR119 (0.49) | KMT2AMEN1 | |
| SCHEMBL20003048 | 0.77 | PDK1 (0.41) | RAB9ASMN1; SMN2KMT2ALMNAALDH1A1 | |
| SCHEMBL20002992 | 0.77 | PDK1 (0.41) | RAB9ASMN1; SMN2KMT2ALMNAALDH1A1 | |
| SCHEMBL20002255 | 0.77 | CCR5 (0.49) | KMT2ACCR5 |
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 |