Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | LTA | P01374 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.32 |
| ▸ | RAD1 | O60671 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17289576 | 0.86 | TDP1 (0.44) | TDP1MAPK1P2RY6CA1CA2 | |
| SCHEMBL28239789 | 0.81 | P2RY6 (0.36) | TDP1MAPK1P2RY6CA1CA2 | |
| SCHEMBL28253003 | 0.80 | MAPK1 (0.39) | TDP1MAPK1ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL3972524 | 0.77 | IDO1 (0.34) | TDP1MAPK1MIFALDH1A1HSD17B10 | |
| SCHEMBL29668125 | 0.76 | ITGB3 (0.43) | TDP1MAPK1MIFALDH1A1HSD17B10 | |
| SCHEMBL1021797 | 0.76 | ITGB3 (0.43) | TDP1MAPK1MIFALDH1A1HSD17B10 | |
| SCHEMBL2700207 | 0.73 | MIF (0.34) | TDP1MIFALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL846854 | 0.73 | GABRA1 (0.35) | TDP1MIFALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL30298624 | 0.73 | MIF (0.34) | TDP1MIFALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL30673505 | 0.73 | ALDH1A1 (0.34) | TDP1MIFALDH1A1HSD17B10CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107303292-A | Application of the isosulfocyanate compound in preventing and/or treating hyperlipemia | 无锡杰西医药股份有限公司 | 2017-10-31 | — | — | CN | disclosed |
| CN-107303293-A | Application of the isosulfocyanate compound in preventing and/or treating hyperbilirubinemia | 无锡杰西医药股份有限公司 | 2017-10-31 | — | — | CN | disclosed |
| CN-105358130-A | Preparation of isothiocyanate compounds | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2016-02-24 | — | — | CN | disclosed |