Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.49 |
| ▸ | USP2 | O75604 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3372138 | 0.79 | EGFR (1.00) | EGFRCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL28292983 | 0.79 | CYP2D6 (0.47) | EGFRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL28032872 | 0.78 | EGFR (0.96) | EGFRCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL28173445 | 0.76 | LTA4H (0.51) | KMT2ADHFRLTA4HMAOBCHRM2 | |
| SCHEMBL2099512 | 0.75 | CHRM2 (0.66) | LTA4HMAOBCHRM2CHRM1CHRM3 | |
| SCHEMBL28119906 | 0.75 | MAP4K4 (0.66) | EGFRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28264115 | 0.74 | EGFR (0.49) | EGFRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Biphenyl SCHEMBL28023494 | 0.73 | EGFR (0.79) | EGFRCYP1A2CYP3A4CYP2C19USP2 | |
| SCHEMBL30918007 | 0.73 | EGFR (0.55) | EGFRCYP1A2SMN1; SMN2FGFR4 | |
| SCHEMBL9776814 | 0.73 | EGFR (0.55) | EGFRCYP1A2SMN1; SMN2FGFR4 |
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-106317026-B | A kind of compound being able to suppress ErbB/HDAC and preparation method thereof includes its pharmaceutical composition and application thereof | 清华大学深圳研究生院 | 2019-03-22 | — | — | CN | disclosed |