Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12203355 | 0.80 | PDK1 (0.43) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL10766551 | 0.80 | KDR (0.40) | CYP3A4TSHRMAPK1TDP1PDK1 | |
| SCHEMBL11231703 | 0.80 | TSHR (0.38) | CYP3A4TSHRMAPK1TDP1TP53 | |
| SCHEMBL3888285 | 0.76 | CYP1A2 (0.35) | CYP2C19 | |
| SCHEMBL95410 | 0.73 | MAPK1 (0.46) | CYP3A4TSHRMAPK1TDP1TP53 | |
| SCHEMBL3130927 | 0.73 | CYP3A4 (0.43) | CYP3A4TDP1TP53 | |
| SCHEMBL10348031 | 0.72 | CYP3A4 (0.46) | CYP3A4SMN1; SMN2 | |
| SCHEMBL3892471 | 0.72 | — | — | |
| SCHEMBL799844 | 0.72 | TSHR (0.62) | CYP3A4TSHRMAPK1TDP1ACLY | |
| SCHEMBL11947315 | 0.71 | CYP2A6 (0.40) | TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004060889-A1 | 5-THIAZOLE SUBSTITUTED 2-PYRROLIDINE-CARBOXYLIC ACIDS | GLAXO GROUP LIMITED (GB) | 2004-07-22 | — | — | WO | disclosed |