Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | CDK1 | P06493 | 2/20 | 0.61 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.61 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.61 |
| ▸ | CDK2 | P24941 | 2/20 | 0.61 |
| ▸ | CDK7 | P50613 | 2/20 | 0.61 |
| ▸ | CCNH | P51946 | 2/20 | 0.61 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.61 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.61 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | CCND1 | P24385 | 1/20 | 0.60 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.60 |
| ▸ | IDH1 | O75874 | 11/20 | 0.60 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.55 |
| ▸ | CPT2 | P23786 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL120756 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP3A4MAPTMAPK1CYP2C19 | |
| SCHEMBL1892651 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP3A4MAPTMAPK1CYP2C19 | |
| SCHEMBL29493742 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP3A4MAPTMAPK1CYP2C19 | |
| SCHEMBL26656980 | 0.78 | IDH1 (0.73) | THRBIDH1CPT2CPT1ACPT1B | |
| SCHEMBL8351506 | 0.78 | MAPT (0.52) | CYP1A2CYP3A4MAPTCYP2C19IDH1 | |
| SCHEMBL26410125 | 0.77 | IDH1 (0.64) | THRBIDH1CPT2CPT1ACPT1B | |
| SCHEMBL26657708 | 0.77 | IDH1 (0.64) | THRBIDH1CPT2CPT1ACPT1B | |
| SCHEMBL15603556 | 0.76 | CDK1 (0.57) | CYP1A2CYP3A4MAPTMAPK1CYP2C19 | |
| SCHEMBL26122069 | 0.76 | MAPT (0.54) | CYP1A2CYP3A4MAPTMAPK1CYP2C19 | |
| SCHEMBL15702463 | 0.75 | IDH1 (1.00) | IDH1 |
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-104548060-B | The method and the compound of compound regulation TAK1 activity are used for the application for treating hand-foot-and-mouth disease | 上海市肺科医院 | 2017-09-19 | — | — | CN | disclosed |