Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 15/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13913585 | 0.93 | ADORA1 (0.71) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13925963 | 0.88 | ADORA1 (0.62) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13925903 | 0.82 | ADORA1 (0.62) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13913642 | 0.82 | ADORA1 (0.58) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13913974 | 0.81 | ADORA1 (0.55) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13913599 | 0.81 | ADORA1 (0.73) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13925684 | 0.81 | ALDH1A1 (0.67) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13925960 | 0.80 | ADORA1 (0.52) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13913672 | 0.80 | ADORA1 (0.68) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 | |
| SCHEMBL13913519 | 0.79 | ADORA1 (0.69) | ADORA1ADORA2AADORA2BADORA3ALDH1A1 |
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 |