Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | EPHB3 | P54753 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.40 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11198610 | 0.81 | ATM (0.55) | PKMHTTNPC1RAB9AMAPK14 | |
| SCHEMBL11194508 | 0.81 | RAB9A (0.58) | ALDH1A1L3MBTL1HTTHPGDEPHB3 | |
| SCHEMBL11192921 | 0.79 | EPHB3 (0.57) | HPGDEPHB3NPC1RAB9ACYP1A2 | |
| SCHEMBL11204732 | 0.78 | HSD17B10 (0.48) | ALDH1A1HPGDGAAMAPK14CYP1A2 | |
| SCHEMBL11197057 | 0.77 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1EPHB3SCN9ANPC1 | |
| SCHEMBL939409 | 0.75 | NPC1 (0.52) | ALDH1A1PKMHTTHPGDSCN9A | |
| SCHEMBL11196150 | 0.72 | MAPK14 (0.42) | ALDH1A1HTTEPHB3SCN9ANPC1 | |
| SCHEMBL31473324 | 0.72 | GAA (0.50) | ALDH1A1EPHB3SCN9ANPC1RAB9A | |
| SCHEMBL11200983 | 0.72 | GAA (0.50) | ALDH1A1SCN9ANPC1RAB9AGAA | |
| SCHEMBL31473317 | 0.72 | CYP1A2 (0.46) | ALDH1A1HTTNPC1RAB9AGAA |
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 |