Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 6/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL28068264 | 0.81 | MTOR (0.47) | MTORADORA3ADORA2BALDH1A1KDM4E | |
| SCHEMBL28068276 | 0.80 | MTOR (0.62) | MTORADORA3ADORA2B | |
| SCHEMBL481737 | 0.80 | MTOR (0.79) | MTOR | |
| SCHEMBL28829341 | 0.78 | ADORA3 (0.51) | MTORADORA3ADORA2BALDH1A1KDM4E | |
| SCHEMBL17554247 | 0.75 | MTOR (0.57) | MTORADORA3ADORA2B | |
| SCHEMBL14874599 | 0.75 | ADORA3 (0.48) | MTORADORA3ADORA2BALDH1A1KDM4E | |
| SCHEMBL481613 | 0.74 | FYN (0.58) | MTOR | |
| SCHEMBL28068238 | 0.73 | ADORA3 (0.57) | ADORA3ADORA2BALDH1A1KDM4EMEN1 | |
| SCHEMBL481621 | 0.70 | MTOR (0.58) | MTORALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL28068204 | 0.68 | GABRA3 (0.37) | MTORGABRA1GABRA5GABRA3GABRA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105693730-A | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | 西格诺药品有限公司 | 2016-06-22 | — | — | CN | disclosed |