Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28758100 | 0.79 | CYP3A4 (0.46) | CYP3A4CYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL16372235 | 0.79 | HPGD (0.47) | CYP3A4CYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL9020337 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL18788436 | 0.78 | ALDH1A1 (0.51) | CYP3A4CYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL9295835 | 0.78 | PDE5A (0.52) | CYP3A4CYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL14973340 | 0.78 | RAB9A (0.46) | ALDH1A1MAPTLMNARAB9ANPC1 | |
| SCHEMBL8573566 | 0.77 | RAB9A (0.50) | ALDH1A1MAPTLMNARAB9ANPC1 | |
| SCHEMBL7133344 | 0.76 | ALDH1A1 (0.44) | CYP3A4CYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL4701434 | 0.75 | RAB9A (0.49) | ALDH1A1MAPTLMNARAB9ANPC1 | |
| SCHEMBL1406834 | 0.75 | NPC1 (0.49) | ALDH1A1LMNARAB9ANPC1KDM4E |
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 |