Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL17390782 | 0.85 | ALDH1A1 (0.61) | LMNACYP2A6HSD17B10IDO1TSHR | |
| Chlorobenzene SCHEMBL27617049 | 0.83 | TSHR (0.69) | LMNACYP2A6IDO1TSHRCYP1A2 | |
| Chlorobenzene SCHEMBL5486949 | 0.83 | TSHR (0.69) | LMNACYP2A6IDO1TSHRCYP1A2 | |
| 1,4-Dichlorobenzene SCHEMBL27327183 | 0.79 | LMNA (0.80) | LMNACYP2A6HSD17B10IDO1TSHR | |
| 1,4-Dichlorobenzene SCHEMBL11243685 | 0.78 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.78 | — | — | |
| SCHEMBL14902 | 0.76 | — | — | |
| SCHEMBL678585 | 0.76 | ALDH1A1 (0.69) | LMNACYP2A6HSD17B10IDO1TSHR | |
| 1,4-Dichlorobenzene SCHEMBL27285654 | 0.75 | LMNA (0.73) | LMNACYP2A6HSD17B10IDO1TSHR | |
| 1,4-Dichlorobenzene SCHEMBL28007745 | 0.75 | LMNA (0.73) | LMNACYP2A6HSD17B10IDO1TSHR |
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-109152985-A | Purifying a hydrocarbon containing predominantly C1-C5; carbon dioxide; and organic and inorganic sulfur compounds, halogenated and non-halogenated volatile organic compounds, and oxygen impurities | 托普索公司 | 2019-01-04 | — | — | CN | disclosed |