Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.54 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29563911 | 0.91 | HSD17B10 (0.60) | VCAM1PDE7AHSD17B10RORCPDK1 | |
| SCHEMBL1148427 | 0.91 | HSD17B10 (0.60) | VCAM1PDE7AHSD17B10RORCPDK1 | |
| Selenium SCHEMBL10605380 | 0.89 | HSD17B10 (0.58) | VCAM1PDE7AHSD17B10RORCPDK1 | |
| SCHEMBL1762377 | 0.81 | HSD17B10 (0.56) | VCAM1PDE7AHSD17B10RORCPDK1 | |
| SCHEMBL9489473 | 0.81 | VCAM1 (0.47) | VCAM1PDE7AHSD17B10RORCPLA2G7 | |
| SCHEMBL2816057 | 0.80 | VCAM1 (0.55) | VCAM1HSD17B10PDK1PDK2PDK3 | |
| SCHEMBL11768344 | 0.80 | VCAM1 (0.43) | VCAM1PDE7AHSD17B10RORCPLA2G7 | |
| SCHEMBL10419912 | 0.80 | VCAM1 (0.43) | VCAM1PDE7AHSD17B10RORCPLA2G7 | |
| SCHEMBL27573832 | 0.78 | POLB (0.48) | VCAM1PDE7AHSD17B10RORCPDK1 | |
| SCHEMBL10419939 | 0.78 | PLA2G7 (0.44) | VCAM1PDE7AHSD17B10RORCPLA2G7 |
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-105143202-B | Dithiocarboxylic acid esters having spermicidal activity and process for their preparation | 科学与工业研究委员会 | 2018-08-14 | — | — | CN | disclosed |