Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | BTK | Q06187 | 14/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | TEC | P42680 | 1/20 | 0.46 |
| ▸ | TXK | P42681 | 1/20 | 0.46 |
| ▸ | BMX | P51813 | 1/20 | 0.46 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | PRKDC | P78527 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28473090 | 0.94 | HDAC1 (0.62) | MTORHDAC1BTKCYP1A2MAPK1 | |
| SCHEMBL30172728 | 0.91 | HDAC1 (0.51) | MTORHDAC1BTKPIK3CDPIK3CA | |
| SCHEMBL28383968 | 0.91 | BTK (0.56) | MTORHDAC1BTKEGFRSRC | |
| SCHEMBL28380398 | 0.90 | MTOR (0.50) | MTORHDAC1BTKEGFRSRC | |
| SCHEMBL28380228 | 0.88 | BTK (0.59) | BTK | |
| SCHEMBL28384593 | 0.87 | FYN (0.47) | MTORHDAC1BTKERBB2TEC | |
| SCHEMBL28384616 | 0.87 | BTK (0.59) | MTORHDAC1BTKSRCCYP1A2 | |
| SCHEMBL28383126 | 0.87 | HDAC1 (0.46) | MTORHDAC1BTKERBB2TEC | |
| SCHEMBL28467335 | 0.85 | HDAC1 (0.51) | MTORHDAC1BTKRIPK2 | |
| SCHEMBL28380231 | 0.85 | HDAC1 (0.46) | MTORHDAC1BTKERBB2TEC |
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-111018865-A | 1-substituted benzyl pyrazolopyrimidine derivative and preparation method and application thereof | 山东大学 | 2020-04-17 | — | — | CN | claimed |