Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 18/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4426727 | 0.89 | ADORA1 (0.82) | ADORA1SLC6A3 | |
| SCHEMBL4432630 | 0.88 | ADORA1 (0.71) | ADORA1SLC6A3 | |
| SCHEMBL14464879 | 0.88 | ADORA1 (0.84) | ADORA1SLC6A3 | |
| SCHEMBL13929774 | 0.87 | ADORA1 (0.65) | ADORA1SLC6A3 | |
| SCHEMBL4427010 | 0.86 | ADORA1 (0.74) | ADORA1SLC6A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL4428648 | 0.86 | ADORA1 (0.85) | ADORA1SLC6A3ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL4427399 | 0.86 | ADORA1 (0.67) | ADORA1SLC6A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL4435702 | 0.86 | ADORA1 (0.67) | ADORA1SLC6A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL13929511 | 0.84 | ADORA1 (0.70) | ADORA1SLC6A3ALDH1A1KDM4ELMNA | |
| SCHEMBL13929983 | 0.84 | ADORA1 (0.65) | ADORA1SLC6A3ALDH1A1KDM4EMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1455785-B1 | SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME | BAYER HEALTHCARE AG (DE) | 2009-03-04 | — | — | EP | disclosed |
| EP-1455785-A1 | SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME | Bayer HealthCare AG (DE) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003053441-A1 | SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME | BAYER HEALTHCARE AG (DE) | 2003-07-03 | — | — | WO | disclosed |