Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.51 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 8/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.46 |
| ▸ | GCGR | P47871 | 3/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | CHUK | O15111 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20189888 | 1.00 | RPS6KA3 (0.51) | RPS6KA3TDO2MAPK14MAPK13MAPK12 | |
| Ammonia Solution, Strong SCHEMBL16036667 | 0.98 | RPS6KA3 (0.50) | RPS6KA3TDO2MAPK14MAPK13MAPK12 | |
| SCHEMBL29477093 | 0.83 | CYP2D6 (0.46) | RPS6KA3ALDH1A1CYP1A2KDM4EGAA | |
| SCHEMBL15770240 | 0.83 | CYP2D6 (0.46) | RPS6KA3ALDH1A1CYP1A2KDM4EGAA | |
| SCHEMBL21647182 | 0.80 | RPS6KA3 (0.68) | RPS6KA3ALDH1A1CYP17A1KDM4ESLC22A12 | |
| SCHEMBL3164390 | 0.80 | TDO2 (0.47) | RPS6KA3TDO2MAPK14GCGRALDH1A1 | |
| SCHEMBL4948169 | 0.80 | DGAT1 (0.42) | RPS6KA3ALDH1A1KDM4EGAASLC22A12 | |
| SCHEMBL29299464 | 0.79 | KIF11 (0.57) | TDO2SLC22A12 | |
| SCHEMBL24038370 | 0.79 | RPS6KA3 (0.59) | RPS6KA3MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL3791281 | 0.79 | ALDH1A1 (0.54) | RPS6KA3TDO2ALDH1A1CYP1A2KDM4E |
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-110545817-B | GSK-3 inhibitors | 百时美施贵宝公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-110225912-B | GSK-3 inhibitors | 百时美施贵宝公司 | 2022-10-21 | — | — | CN | disclosed |