Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | PDE1A | P54750 | 1/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 2/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913584 | 0.92 | ADORA1 (0.72) | ADORA1ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL13925962 | 0.90 | RET (0.61) | ADORA1ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL13925684 | 0.88 | ALDH1A1 (0.67) | ADORA1ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL13925964 | 0.86 | ALDH1A1 (0.62) | ADORA1ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL13925905 | 0.85 | ADORA1 (0.55) | ADORA1ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL13913583 | 0.83 | ADORA1 (0.72) | ADORA1ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL13913589 | 0.82 | RET (0.70) | ADORA1ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL13925820 | 0.82 | ADORA1 (0.61) | ADORA1ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL13925681 | 0.81 | ADORA1 (0.51) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13925963 | 0.81 | ADORA1 (0.62) | ADORA1ADORA2AADORA2BADORA3KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7504421-B2 | Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |