Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 5/20 | 0.42 |
| ▸ | F2 | P00734 | 3/20 | 0.40 |
| ▸ | F10 | P00742 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.39 |
| ▸ | NMUR1 | Q9HB89 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL21553676 | 0.84 | XIAP (0.52) | XIAPF2F10PRSS1PLG | |
| SCHEMBL29510749 | 0.82 | ACE (0.53) | F2 | |
| SCHEMBL9347620 | 0.81 | ACE (0.51) | F2 | |
| SCHEMBL9347633 | 0.81 | ACE (0.51) | F2 | |
| SCHEMBL21553669 | 0.80 | F2 (0.46) | XIAPF2OPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL9348527 | 0.80 | ACE (0.50) | F2 | |
| Hydrochloric Acid SCHEMBL9348537 | 0.80 | ACE (0.50) | F2 | |
| SCHEMBL31365886 | 0.78 | XIAP (0.53) | XIAPOPRM1OPRD1OPRK1 | |
| SCHEMBL29349605 | 0.78 | ACE (0.54) | F2 | |
| SCHEMBL13073882 | 0.78 | DPP4 (0.39) | XIAPF2F10PRSS1PLG |
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 |