Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | HPGD | P15428 | 3/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
| ▸ | PARP1 | P09874 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 7/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17285573 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP2C9PARP1DAO | |
| SCHEMBL17285533 | 0.73 | ALDH1A1 (0.61) | ALDH1A1HPGDCYP2C9HTTMAPT | |
| SCHEMBL5791378 | 0.72 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP2C9PARP1HTT | |
| SCHEMBL7874800 | 0.70 | HPGD (0.75) | ALDH1A1HPGDCYP2C9PARP1DAO | |
| SCHEMBL17285587 | 0.70 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP2C9HTTMAPT | |
| SCHEMBL11458310 | 0.70 | DAO (0.50) | ALDH1A1HPGDCYP2C9DAONPC1 | |
| SCHEMBL400710 | 0.70 | ALDH1A1 (0.55) | ALDH1A1HPGDCYP2C9PARP1AR | |
| SCHEMBL1249876 | 0.70 | PARP1 (1.00) | PARP1 | |
| SCHEMBL400160 | 0.70 | ALDH1A1 (0.55) | ALDH1A1HPGDCYP2C9PARP1HTT | |
| SCHEMBL6320498 | 0.69 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP2C9HTTMAPT |
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 |