Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.59 |
| ▸ | CTSD | P07339 | 1/20 | 0.59 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | STAT3 | P40763 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL264288 | 0.96 | IRAK4 (0.63) | IRAK4CTSDCTNNB1HTTLMNA | |
| SCHEMBL29423358 | 0.96 | IRAK4 (0.63) | IRAK4CTSDCTNNB1HTTLMNA | |
| Hydrochloric Acid SCHEMBL3144924 | 0.94 | IRAK4 (0.61) | IRAK4CTSDCTNNB1HTTLMNA | |
| Hydrochloric Acid SCHEMBL408014 | 0.94 | IRAK4 (0.61) | IRAK4CTSDCTNNB1HTTLMNA | |
| Water SCHEMBL27147733 | 0.94 | IRAK4 (0.61) | IRAK4CTSDCTNNB1HTTLMNA | |
| SCHEMBL4881322 | 0.94 | IRAK4 (0.61) | IRAK4CTSDCTNNB1HTTLMNA | |
| SCHEMBL31174577 | 0.94 | IRAK4 (0.61) | IRAK4CTSDCTNNB1HTTLMNA | |
| SCHEMBL31174576 | 0.94 | IRAK4 (0.61) | IRAK4CTSDCTNNB1HTTLMNA | |
| Hydrochloric Acid SCHEMBL4374712 | 0.94 | IRAK4 (0.61) | IRAK4CTSDCTNNB1HTTLMNA | |
| Hydrochloric Acid SCHEMBL5151052 | 0.92 | IRAK4 (0.59) | IRAK4CTSDCTNNB1HTTLMNA |
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-104649879-B | Substituted benzene methylene 1,2,3,4-Tetrahydrooxonaphthalene analog derivative and preparation method, application | 中国人民解放军第二军医大学 | 2017-01-04 | — | — | CN | disclosed |