Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 4/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696335 | 0.92 | PDCD1 (0.44) | PDCD1CD274ALDH1A1LTA4H | |
| SCHEMBL4692560 | 0.90 | CD274 (0.39) | PDCD1CD274S1PR1LTA4H | |
| SCHEMBL4695511 | 0.90 | PDCD1 (0.34) | PDCD1CD274DPP4 | |
| SCHEMBL4697200 | 0.89 | HDAC1 (0.37) | PDCD1CD274ALDH1A1LMNA | |
| SCHEMBL6027383 | 0.88 | OPRM1 (0.36) | PDCD1CD274ALDH1A1LMNAOPRM1 | |
| SCHEMBL4694658 | 0.87 | ALDH1A1 (0.36) | PDCD1CD274ALDH1A1SPHK2SPHK1 | |
| SCHEMBL4696628 | 0.86 | HDAC1 (0.35) | PDCD1CD274LTA4H | |
| SCHEMBL12505524 | 0.85 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL4692631 | 0.85 | ALDH1A1 (0.35) | ALDH1A1SPHK2SPHK1LMNAOPRM1 | |
| SCHEMBL4694768 | 0.85 | HDAC1 (0.36) | LMNALTA4H |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893577-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2008-03-05 | — | — | EP | claimed |
| WO-2006138218-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-12-28 | — | — | WO | claimed |