Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | RHOA | P61586 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL656388 | 0.78 | RHOA (0.54) | PLK1RHOAMEN1MAPK1KMT2A | |
| SCHEMBL5396674 | 0.76 | SYK (0.45) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL6979286 | 0.75 | CLK4 (0.55) | PLK1RHOAMEN1MAPK1KMT2A | |
| SCHEMBL14841899 | 0.70 | ROCK1 (0.38) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL14841618 | 0.70 | ROCK2 (0.45) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL31378804 | 0.69 | RHOA (0.42) | PLK1HTR3EHTR3BHTR3AROCK1 | |
| SCHEMBL28504622 | 0.69 | CA1 (0.50) | — | |
| SCHEMBL3298034 | 0.68 | HTR3E (0.47) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL13485393 | 0.68 | KDM4E (0.44) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL6312915 | 0.68 | IGF1R (0.52) | HTR3EHTR3BHTR3AROCK1HTR3D |
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 |
|---|---|---|---|---|---|---|---|
| US-9018204-B1 | 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2015-04-28 | — | — | US | disclosed |