Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.82 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.82 |
| ▸ | MAPT | P10636 | 3/20 | 0.82 |
| ▸ | HPGD | P15428 | 3/20 | 0.82 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.82 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.82 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.82 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.82 |
| ▸ | THRB | P10828 | 1/20 | 0.82 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.76 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.76 |
| ▸ | RELA | Q04206 | 3/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.76 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.76 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL25195193 | 1.00 | MEN1 (0.82) | MEN1KMT2ACYP3A4TDP1MAPT | |
| SCHEMBL14027262 | 0.95 | MEN1 (0.79) | MEN1KMT2ACYP3A4TDP1MAPT | |
| SCHEMBL30383752 | 0.95 | MEN1 (0.79) | MEN1KMT2ACYP3A4TDP1MAPT | |
| SCHEMBL25194592 | 0.95 | MEN1 (0.79) | MEN1KMT2ACYP3A4TDP1MAPT | |
| Methyl Alcohol SCHEMBL25196695 | 0.92 | ABCG2 (0.78) | MEN1KMT2ACYP3A4TDP1MAPT | |
| 2',4'-Dihydroxychalcone SCHEMBL25200440 | 0.90 | MAPT (1.00) | MEN1KMT2ACYP3A4TDP1MAPT | |
| 2',4'-Dihydroxychalcone SCHEMBL1411695 | 0.90 | MAPT (1.00) | MEN1KMT2ACYP3A4TDP1MAPT | |
| 2',4'-Dihydroxychalcone SCHEMBL127341 | 0.90 | MAPT (1.00) | MEN1KMT2ACYP3A4TDP1MAPT | |
| SCHEMBL9702245 | 0.90 | CYP3A4 (0.71) | MEN1KMT2ACYP3A4TDP1MAPT | |
| SCHEMBL9702240 | 0.90 | CYP3A4 (0.71) | MEN1KMT2ACYP3A4TDP1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105906501-B | Compound and preparation method thereof, application | 中山大学 | 2019-01-29 | — | — | CN | disclosed |
| CN-105906501-A | Compound, and preparation method and application thereof | 中山大学 | 2016-08-31 | — | — | CN | disclosed |