Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HAVCR2 | Q8TDQ0 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11173744 | 0.86 | JAK2 (0.44) | CA12CA9HAVCR2ALDH1A1HPGD | |
| SCHEMBL11161587 | 0.83 | HAVCR2 (0.50) | HAVCR2ALDH1A1HPGDGABRPGABRD | |
| SCHEMBL11167166 | 0.81 | HAVCR2 (0.46) | HAVCR2ALDH1A1HPGDGABRPGABRD | |
| SCHEMBL10922730 | 0.80 | GABRP (0.60) | HAVCR2ALDH1A1HPGDGABRPGABRD | |
| SCHEMBL8375791 | 0.79 | PARP1 (0.41) | CA12CA9HAVCR2ALDH1A1HPGD | |
| SCHEMBL11085153 | 0.79 | ADORA3 (0.50) | — | |
| SCHEMBL462802 | 0.79 | HAVCR2 (0.67) | CA12CA9HAVCR2MAPTHSD17B10 | |
| SCHEMBL8376736 | 0.78 | JAK2 (0.44) | HAVCR2ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL11170424 | 0.77 | JAK2 (0.46) | HAVCR2ALDH1A1HPGDGABRPGABRD | |
| SCHEMBL11172659 | 0.77 | JAK2 (0.43) | HAVCR2ALDH1A1HPGDGABRPGABRD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0673249-B1 | TRIAZOLOQUINAZOLINES FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM | BASF AG (DE) | 1999-03-17 | — | — | EP | disclosed |