Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3846968 | 0.86 | KCNH2 (0.44) | KCNH2PIK3CATSHRLMNAFLT3 | |
| SCHEMBL3846693 | 0.79 | PGR (0.39) | ALDH1A1KCNH2KDM4EPIK3CAMEN1 | |
| SCHEMBL3849695 | 0.77 | TGFBR1 (0.37) | KCNH2PIK3CAMEN1KMT2ALMNA | |
| SCHEMBL3850040 | 0.76 | FLT3 (0.45) | KCNH2FLT3TGFBR1 | |
| Hydrochloric Acid SCHEMBL3847228 | 0.76 | ALDH1A1 (0.42) | ALDH1A1GAAKCNH2KDM4EPKM | |
| SCHEMBL3852869 | 0.75 | TGFBR1 (0.38) | TGFBR1 | |
| SCHEMBL3845703 | 0.74 | TGFBR1 (0.41) | KCNH2TGFBR1 | |
| SCHEMBL3846455 | 0.74 | FLT3 (0.51) | KCNH2FLT3TGFBR1 | |
| SCHEMBL3849014 | 0.73 | AKT1 (0.41) | KCNH2PIK3CAFLT3TGFBR1 | |
| SCHEMBL3848269 | 0.72 | KCNH2 (0.48) | KCNH2PIK3CAKITFLT3TNF |
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 |
|---|---|---|---|---|---|---|---|
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |