Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6112072 | 0.74 | MEN1 (0.45) | CYP3A4CYP2D6HPGDALDH1A1LMNA | |
| SCHEMBL5794763 | 0.72 | PTGDR2 (0.53) | SMN1; SMN2NPC1RAB9AHSD17B10HPGD | |
| SCHEMBL5793463 | 0.71 | ALDH1A1 (0.41) | SMN1; SMN2RAB9AHSD17B10HPGDALDH1A1 | |
| SCHEMBL5793255 | 0.69 | DAO (0.42) | CYP3A4CYP2D6LMNAPTGDR2ALOX15 | |
| SCHEMBL5792610 | 0.69 | PTGDR2 (0.36) | CYP3A4CYP2D6LMNAPTGDR2ALOX15 | |
| SCHEMBL7823940 | 0.67 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP1A2CYP2C9NPC1RAB9A | |
| SCHEMBL3429462 | 0.66 | SMN1; SMN2 (1.00) | SMN1; SMN2CYP1A2CYP2C9NPC1RAB9A | |
| SCHEMBL9671660 | 0.66 | PDE7A (0.67) | PDE5APDE1BPDE4DPDE3APDE7B | |
| SCHEMBL11130494 | 0.66 | NPC1 (0.65) | SMN1; SMN2CYP1A2CYP2C9NPC1RAB9A | |
| SCHEMBL6112515 | 0.65 | ALOX15 (0.52) | CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1644353-A1 | AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES | Bayer HealthCare AG (DE) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005003118-A1 | AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES | BAYER HEALTHCARE AG (DE) | 2005-01-13 | — | — | WO | disclosed |