Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SAT1 | P21673 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2122121 | 0.89 | CYP1A2 (0.45) | CYP2C19MEN1KMT2AGLAPAOX | |
| SCHEMBL19432370 | 0.89 | CYP2C9 (0.45) | CYP2C19MEN1KMT2APAOXCYP1A2 | |
| SCHEMBL17022731 | 0.89 | CYP1A2 (0.45) | CYP2C19MEN1KMT2AGLAPAOX | |
| SCHEMBL1180136 | 0.89 | PAOX (0.46) | CYP2C19MEN1KMT2APAOXCYP1A2 | |
| Hydrochloric Acid SCHEMBL15203425 | 0.86 | PAOX (0.44) | CYP2C19MEN1KMT2APAOXCYP1A2 | |
| SCHEMBL4090086 | 0.86 | PAOX (0.44) | CYP2C19MEN1KMT2APAOXCYP1A2 | |
| SCHEMBL3853353 | 0.86 | CYP2C19 (0.39) | CYP2C19MEN1KMT2AGLAPAOX | |
| SCHEMBL3972281 | 0.86 | CYP2C19 (0.43) | CYP2C19MEN1KMT2AGLAPAOX | |
| SCHEMBL10245131 | 0.85 | PAOX (0.41) | CYP2C19MEN1KMT2AGLAPAOX | |
| SCHEMBL9079152 | 0.84 | CYP2C19 (0.41) | CYP2C19MEN1KMT2AGLAPAOX |
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 |
|---|---|---|---|---|---|---|---|
| EP-2035464-A1 | 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS | BASF SE (DE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007147857-A1 | 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS | BASF SE (DE) | 2007-12-27 | — | — | WO | disclosed |