Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 4/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 5/20 | 0.40 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3898311 | 0.95 | CYP1A2 (0.58) | CYP1A2MAPK1SMN1; SMN2ITGB3ITGA2B | |
| SCHEMBL15818845 | 0.87 | GLA (0.50) | CYP1A2MAPK1SMN1; SMN2ITGB3ITGA2B | |
| SCHEMBL26495416 | 0.81 | CYP1A2 (0.55) | CYP1A2MAPK1SMN1; SMN2HTR7KDM1A | |
| SCHEMBL7276429 | 0.81 | ITGB3 (0.70) | CYP1A2MAPK1SMN1; SMN2ITGB3ITGA2B | |
| SCHEMBL26180910 | 0.80 | CYP1A2 (0.68) | CYP1A2MAPK1SMN1; SMN2HTR7PAOX | |
| Adipic Acid SCHEMBL28348294 | 0.80 | LMNA (0.55) | LMNAACHE | |
| SCHEMBL8380184 | 0.80 | CYP1A2 (0.68) | CYP1A2MAPK1SMN1; SMN2HTR7PAOX | |
| SCHEMBL2847771 | 0.80 | HTR7 (0.54) | CYP1A2MAPK1SMN1; SMN2HTR7HRH3 | |
| SCHEMBL26495617 | 0.80 | CYP1A2 (0.53) | CYP1A2MAPK1SMN1; SMN2HTR7KDM1A | |
| SCHEMBL26495552 | 0.80 | CYP1A2 (0.53) | CYP1A2MAPK1SMN1; SMN2HTR7KDM1A |
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-2099788-B1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER IP GMBH (DE) | 2013-03-06 | — | — | EP | disclosed |
| EP-2099788-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008064788-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-05 | — | — | WO | disclosed |