Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002407 | 0.90 | SMN1; SMN2 (0.41) | CCR5AKR1C3KMT2AGRIN1GRIN2B | |
| SCHEMBL20002879 | 0.88 | NPC1 (0.44) | CCR5KMT2AGRIN1GRIN2BSMN1; SMN2 | |
| SCHEMBL20003227 | 0.87 | KMT2A (0.38) | CCR5KMT2AMAPTGFERSMN1; SMN2 | |
| SCHEMBL20002255 | 0.86 | CCR5 (0.49) | CCR5HDAC3HDAC1HDAC2TACR1 | |
| SCHEMBL20002297 | 0.85 | NOTUM (0.47) | CCR5AKR1C3KMT2AGRIN1GRIN2B | |
| SCHEMBL20002294 | 0.83 | PTPN11 (0.36) | CCR5DPP4KMT2AGRIN1GRIN2B | |
| SCHEMBL20002612 | 0.82 | RORC (0.36) | CCR5DPP4DPP7KMT2AGRIN1 | |
| SCHEMBL20003024 | 0.82 | NOTUM (0.44) | CCR5AKR1C3KMT2AGRIN1GRIN2B | |
| SCHEMBL20002430 | 0.79 | RORC (0.44) | CCR5HDAC3HDAC1HDAC2DPP4 | |
| SCHEMBL20003220 | 0.77 | RORC (0.41) | CCR5DPP4DPP7KMT2AGRIN1 |
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 |