Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR1 | Q92633 | 4/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20540560 | 0.87 | ALDH1A1 (0.45) | LPAR1GSK3BDYRK1AATRRAB9A | |
| SCHEMBL6326131 | 0.83 | ATR (0.36) | LPAR1GSK3BDYRK1AATRMEN1 | |
| SCHEMBL6328501 | 0.82 | GSK3B (0.35) | LPAR1GSK3BDYRK1AATRRAB9A | |
| SCHEMBL20772872 | 0.81 | GSK3B (0.39) | LPAR1GSK3BDYRK1AATRMEN1 | |
| SCHEMBL21164256 | 0.81 | GSK3B (0.39) | LPAR1GSK3BDYRK1AATRMEN1 | |
| SCHEMBL9899981 | 0.81 | MEN1 (0.51) | LPAR1GSK3BDYRK1AMEN1KMT2A | |
| SCHEMBL21164202 | 0.78 | GSK3B (0.37) | LPAR1GSK3BDYRK1AATRMEN1 | |
| SCHEMBL4593392 | 0.77 | KIT (0.42) | GSK3BDYRK1AATRMAPK14NAMPT | |
| SCHEMBL18133987 | 0.76 | MEN1 (0.43) | MEN1KMT2AGAAHPGD | |
| SCHEMBL20873589 | 0.75 | GSK3B (0.35) | LPAR1GSK3BDYRK1AATRMEN1 |
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-1891047-A4 | 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS | BAYER HEALTHCARE AG (DE) | 2008-07-09 | — | — | EP | disclosed |
| EP-1891047-A2 | 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS | Bayer HealthCare AG (DE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006133006-A2 | 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS | BAYER HEALTHCARE AG (DE) | 2006-12-14 | — | — | WO | disclosed |