Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11526290 | 0.81 | HSD17B10 (0.43) | CYP3A4HSD17B10PDK2PDK1PDK3 | |
| SCHEMBL2788773 | 0.81 | CYP3A4 (0.43) | TSHRCYP3A4MAPK1TDP1HSD17B10 | |
| SCHEMBL25087672 | 0.77 | TSHR (0.39) | TSHRHSD11B1PDK2IDO1CYP1A2 | |
| SCHEMBL3164872 | 0.76 | TP53 (0.48) | TP53TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL24377620 | 0.76 | TP53 (0.35) | TP53TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL23912800 | 0.74 | TP53 (0.46) | TP53TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL17733556 | 0.72 | TP53 (0.44) | TP53TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL29381439 | 0.71 | TP53 (0.52) | TP53TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL10089286 | 0.71 | TP53 (0.52) | TP53TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL7651489 | 0.70 | LMNA (0.38) | TP53TSHRCYP3A4MAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6486351-B1 | Method for condensation of aromatic derivative(s) and a sulphinic derivative | RHODIA CHIMIE (FR) | 2002-11-26 | — | — | US | disclosed |