Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20003154 | 0.89 | RORC (0.39) | CCR5KMT2AGRIN1GRIN2BNPC1 | |
| SCHEMBL20003220 | 0.86 | RORC (0.41) | CCR5KMT2AGRIN1GRIN2BNPC1 | |
| SCHEMBL20003191 | 0.85 | RORC (0.41) | CCR5KMT2AGRIN1GRIN2BNPC1 | |
| SCHEMBL20002430 | 0.79 | RORC (0.44) | CCR5KMT2AHDAC3HDAC1HDAC2 | |
| SCHEMBL20002294 | 0.78 | PTPN11 (0.36) | CCR5KMT2AGRIN1GRIN2BDDB1 | |
| SCHEMBL20003080 | 0.78 | GRIN1 (0.35) | CCR5KMT2AGRIN1GRIN2BNPC1 | |
| SCHEMBL20003055 | 0.77 | RORC (0.42) | KMT2ANPC1RAB9AALDH1A1TSHR | |
| SCHEMBL20002375 | 0.77 | RORC (0.41) | CCR5KMT2AGRIN1GRIN2BNPC1 | |
| SCHEMBL20002612 | 0.77 | RORC (0.36) | CCR5KMT2AGRIN1GRIN2BNPC1 | |
| SCHEMBL20002936 | 0.77 | CCR5 (0.46) | CCR5KMT2AGRIN1GRIN2BSMN1; SMN2 |
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 |