Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | PDE6A | P16499 | 1/20 | 0.31 |
| ▸ | PDE6B | P35913 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11881444 | 0.98 | ADORA2A (0.44) | ADORA2AADORA2BKMT2ASPRL3MBTL1 | |
| SCHEMBL11542434 | 0.84 | ADORA2A (0.45) | ADORA2AADORA2BKMT2ASPRL3MBTL1 | |
| SCHEMBL4404446 | 0.80 | ADORA2A (0.50) | ADORA2AADORA2BKMT2ASPRL3MBTL1 | |
| SCHEMBL11541422 | 0.76 | SPR (0.46) | ADORA2AADORA2BKMT2ASPRL3MBTL1 | |
| SCHEMBL11875375 | 0.73 | KMT2A (0.55) | KMT2ASPRPOLBPDE4BPDE5A | |
| SCHEMBL11129400 | 0.72 | ADORA2A (0.41) | ADORA2AADORA2BKMT2ASPRL3MBTL1 | |
| SCHEMBL14884081 | 0.69 | SPR (0.44) | ADORA2AADORA2BSPRPDE1BNR3C1 | |
| SCHEMBL27215281 | 0.67 | CYP4F2 (0.41) | SPRPDE1B | |
| SCHEMBL13562830 | 0.67 | L3MBTL1 (0.67) | ADORA2AADORA2BL3MBTL1PDE1BPDE1A | |
| SCHEMBL11542712 | 0.67 | KMT2A (0.59) | KMT2ANR3C1POLB |
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-4159380-A | BACTERICIDES, FUNGICIDES | E. R. SQUIBB & SONS, INC. (US) | 1979-06-26 | — | — | US | disclosed |
| US-3983128-A | CNS DEPRESSANTS, ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1976-09-28 | — | — | US | disclosed |