Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.62 |
| ▸ | AXL | P30530 | 2/20 | 0.62 |
| ▸ | CDK8 | P49336 | 6/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | PAK4 | O96013 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | INSR | P06213 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27893619 | 0.81 | AXL (0.64) | NUDT1AXLCDK8KMT2AMET | |
| Formic Acid SCHEMBL28509141 | 0.79 | NUDT1 (0.78) | NUDT1AXLCDK8KMT2AMAPK1 | |
| Formic Acid SCHEMBL30635274 | 0.79 | NUDT1 (0.78) | NUDT1AXLCDK8KMT2AMAPK1 | |
| SCHEMBL17837 | 0.79 | — | — | |
| SCHEMBL709685 | 0.79 | AXL (1.00) | NUDT1AXLCDK8MAPK1RIPK1 | |
| SCHEMBL29523425 | 0.79 | — | — | |
| Dimethylformamide SCHEMBL27668960 | 0.78 | AXL (0.70) | NUDT1AXLCDK8KMT2AMET | |
| Ethoxycarbonyl Group SCHEMBL27997141 | 0.78 | ALDH1A1 (0.47) | KMT2AMAPK1MEN1POLBCYP1A2 | |
| Ethoxycarbonyl Group SCHEMBL27554420 | 0.78 | BRD4 (0.35) | NUDT1AXLMAPK1 | |
| Propionic Acid SCHEMBL1100945 | 0.77 | NUDT1 (0.68) | NUDT1AXLCDK8MAPK1RIPK1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483366-A | Benzazole compounds and preparation method thereof, pharmaceutical composition and purposes | INST MATERIA MEDICA CAMS | 2019-11-22 | — | — | CN | disclosed |
| CN-109790162-A | The covalency inhibitor of PAD4 | 帕德罗科治疗公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109069869-A | Bicyclic PAD4 inhibitor | 帕德罗科治疗公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-101379041-B | Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole structural element, their preparation and their therapeutic use | SANOFI AVENTIS | 2012-08-29 | — | — | CN | disclosed |
| CN-102149714-A | Novel tricyclic derivatives, process for the preparation thereof and pharmaceutical compositions containing same | SERVIER LAB | 2011-08-10 | — | — | CN | disclosed |
| CN-101379041-A | Tricyclic N-heteroaryl-amide derivatives containing benzimidazole structural units, their preparation and their therapeutic use | SANOFI AVENTIS (FR) | 2009-03-04 | — | — | CN | disclosed |
| CN-100418968-C | Pirazino(aza)indole derivatives | VERNALIS RES LTD (GB) | 2008-09-17 | — | — | CN | disclosed |
| CN-1290847-C | Aza-aryl piperazines | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | CN | disclosed |
| CN-1289499-C | Pyrazino (aza) indole derivatives | VERNALIS RES LTD (GB) | 2006-12-13 | — | — | CN | disclosed |
| CN-1837207-A | Pirazino(aza)indole derivatives | VERNALIS RES LTD (GB) | 2006-09-27 | — | — | CN | disclosed |
| CN-1625558-A | Aza-arylpiperazines | HOFFMANN LA ROCHE (CH) | 2005-06-08 | — | — | CN | disclosed |
| CN-1337963-A | Pyrazino (aza) indole derivatives | VERNALIS RES LTD (GB) | 2002-02-27 | — | — | CN | disclosed |
| CN-1276790-A | Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them | SANOFI SA (FR) | 2000-12-13 | — | — | CN | disclosed |