Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | WEE1 | P30291 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL203395 | 0.78 | ERN1 (0.61) | ERN1CYP2A6PIM3PTGDR2PIM1 | |
| SCHEMBL30239797 | 0.77 | MEN1 (0.46) | CYP2A6ALDH1A1AURKAKDRCDK2 | |
| SCHEMBL5961899 | 0.77 | MEN1 (0.46) | CYP2A6ALDH1A1AURKAKDRCDK2 | |
| SCHEMBL28032258 | 0.75 | ERN1 (0.50) | ERN1ALDH1A1CYP2D6S100A4PTPRC | |
| SCHEMBL31167504 | 0.74 | GPR35 (0.44) | CYP2A6ALDH1A1AURKAKDRS100A4 | |
| SCHEMBL1985834 | 0.72 | ERN1 (0.50) | ERN1CYP2A6PTGDR2ALDH1A1S100A4 | |
| SCHEMBL27814203 | 0.71 | S100A4 (0.47) | ERN1ALDH1A1S100A4 | |
| SCHEMBL16050049 | 0.70 | ERN1 (0.48) | ERN1CYP2A6PTGDR2ALDH1A1S100A4 | |
| SCHEMBL30214858 | 0.70 | IMPDH2 (0.49) | PIM3PIM1AURKACDK2IDO1 | |
| SCHEMBL405754 | 0.68 | ALDH1A1 (0.47) | ERN1CYP2A6PIM3PTGDR2ALDH1A1 |
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-104945403-A | Tetrahydrobenzo [ e ] [1,2,4] triaza compounds and preparation method thereof | UNIV DALIAN TECH | 2015-09-30 | — | — | CN | disclosed |