Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4059942 | 0.91 | MGLL (0.65) | MGLLTSHRALDH1A1PDK1PDK2 | |
| SCHEMBL10959852 | 0.80 | MGLL (0.53) | MGLL | |
| SCHEMBL12195318 | 0.80 | MGLL (0.78) | MGLLTSHRALDH1A1PDK1PDK2 | |
| SCHEMBL5337164 | 0.77 | MGLL (0.60) | MGLLALDH1A1HRH3PHGDHALDH2 | |
| SCHEMBL18581640 | 0.77 | MGLL (0.60) | MGLLALDH1A1HRH3PHGDHALDH2 | |
| SCHEMBL18949241 | 0.77 | MGLL (0.60) | MGLLALDH1A1HRH3PHGDHALDH2 | |
| SCHEMBL17460188 | 0.73 | — | — | |
| SCHEMBL8329289 | 0.72 | — | — | |
| Dithiodimorpholine SCHEMBL137538 | 0.71 | MGLL (1.00) | MGLLTSHRALDH1A1PDK1PDK2 | |
| SCHEMBL11818638 | 0.71 | MGLL (0.55) | MGLLTSHRALDH1A1PDK1PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3327021-A1 | JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF | Yangji Chemical Co., Ltd. (KR) | 2018-05-30 | — | — | EP | disclosed |