Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 6/20 | 0.52 |
| ▸ | CAPN1 | P07384 | 4/20 | 0.44 |
| ▸ | NMUR2 | Q9GZQ4 | 2/20 | 0.42 |
| ▸ | NMUR1 | Q9HB89 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21553671 | 0.84 | XIAP (0.42) | XIAPCAPN1NMUR2NMUR1OPRM1 | |
| SCHEMBL29721089 | 0.77 | CALCRL (0.46) | XIAPOPRM1OPRD1OPRK1 | |
| SCHEMBL18098145 | 0.76 | F2 (0.50) | CAPN1NMUR2NMUR1OPRM1CTSB | |
| SCHEMBL21310170 | 0.75 | XIAP (0.45) | XIAPNMUR2NMUR1F2F10 | |
| SCHEMBL30353032 | 0.75 | F2 (0.42) | NMUR2NMUR1OPRM1F2F10 | |
| SCHEMBL16508578 | 0.75 | OPRM1 (0.49) | XIAPNMUR2NMUR1OPRM1OPRK1 | |
| SCHEMBL16508495 | 0.75 | OPRM1 (0.49) | XIAPNMUR2NMUR1OPRM1OPRK1 | |
| SCHEMBL22623412 | 0.75 | XIAP (0.70) | XIAPOPRM1OPRD1OPRK1 | |
| SCHEMBL22942169 | 0.74 | REN (0.42) | XIAPCAPN1NMUR2NMUR1OPRM1 | |
| SCHEMBL31556402 | 0.74 | CAPN1 (0.50) | CAPN1NMUR2NMUR1OPRM1CTSB |
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-2970390-B1 | MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS | BRISTOL MYERS SQUIBB CO (US) | 2019-11-06 | — | — | EP | disclosed |