Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | QDPR | P09417 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002936 | 0.87 | CCR5 (0.46) | KMT2ACCR5KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL20002407 | 0.77 | SMN1; SMN2 (0.41) | KMT2ACCR5SMN1; SMN2KDM1AMAOB | |
| SCHEMBL20002879 | 0.75 | NPC1 (0.44) | KMT2ACCR5KCNH2HRH3SMN1; SMN2 | |
| SCHEMBL20003224 | 0.75 | KMT2A (0.43) | KMT2ASMN1; SMN2 | |
| SCHEMBL20002255 | 0.73 | CCR5 (0.49) | KMT2ACCR5 | |
| SCHEMBL20002297 | 0.72 | NOTUM (0.47) | KMT2ACCR5MAPT | |
| SCHEMBL20002294 | 0.71 | PTPN11 (0.36) | KMT2ACCR5CHRM1 | |
| SCHEMBL20002612 | 0.70 | RORC (0.36) | KMT2ACCR5 | |
| SCHEMBL20003024 | 0.69 | NOTUM (0.44) | KMT2ACCR5MAPT | |
| SCHEMBL20002327 | 0.69 | MAOA (0.45) | KMT2AMAPTMAOAMAOB |
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 |