Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.53 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.47 |
| ▸ | WDR5 | P61964 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933525 | 0.86 | PDCD1 (0.52) | PDCD1CD274MAPTTLR9TLR8 | |
| SCHEMBL12781800 | 0.86 | PDCD1 (0.52) | PDCD1CD274MAPTTLR9TLR8 | |
| SCHEMBL10747141 | 0.86 | PDCD1 (0.52) | PDCD1CD274MAPTTLR9TLR8 | |
| SCHEMBL10750012 | 0.86 | PDCD1 (0.52) | PDCD1CD274MAPTTLR9TLR8 | |
| SCHEMBL15933686 | 0.86 | NPC1 (0.61) | PDCD1CD274MAPTTLR9TLR8 | |
| SCHEMBL15933440 | 0.86 | PDCD1 (0.59) | PDCD1CD274MAPTTLR9TLR8 | |
| SCHEMBL108698 | 0.86 | PDCD1 (0.69) | PDCD1CD274MAPTTLR9TLR8 | |
| Hydrochloric Acid SCHEMBL19664801 | 0.85 | PDCD1 (0.51) | PDCD1CD274MAPTTLR9TLR8 | |
| SCHEMBL15933687 | 0.84 | PDCD1 (0.53) | PDCD1CD274MAPTTLR9TLR8 | |
| SCHEMBL15933693 | 0.84 | NPC1 (0.55) | PDCD1CD274MAPTTLR9TLR8 |
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 |
|---|---|---|---|---|---|---|---|
| US-4670445-A | VASODILATORS | ELI LILLY AND COMPANY (US) | 1987-06-02 | — | — | US | disclosed |
| US-4578387-A | VASODILATION; DERIVATIVES OF 2-PHENYL-5,6,7,8-TETRAHYDROIMADAZO/1,2-A/PYRAZINE | ELI LILLY AND COMPANY (US) | 1986-03-25 | — | — | US | disclosed |