Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.51 |
| ▸ | CA2 | P00918 | 5/20 | 0.51 |
| ▸ | CA9 | Q16790 | 4/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL201938 | 0.91 | ALDH1A1 (0.64) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1 | |
| Ammonia Solution, Strong SCHEMBL7802754 | 0.89 | ALDH1A1 (0.62) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1 | |
| SCHEMBL6791371 | 0.85 | SMN1; SMN2 (0.73) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1 | |
| SCHEMBL11342714 | 0.83 | PPARG (0.56) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1 | |
| SCHEMBL11342717 | 0.83 | PPARG (0.56) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1 | |
| Benzaldehyde SCHEMBL4562813 | 0.81 | NAPRT (0.60) | ALDH1A1KDM4ESMN1; SMN2MAPK1HTT | |
| Acetaminophen SCHEMBL28672184 | 0.79 | CA1 (0.80) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1 | |
| SCHEMBL8702167 | 0.79 | CYP2A6 (0.63) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1 | |
| SCHEMBL11015536 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1 | |
| Acetanilide SCHEMBL397904 | 0.77 | NAPRT (0.79) | ALDH1A1SMN1; SMN2HTTL3MBTL1CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110698492-A | Preparation method of darunavir | 雅本化学股份有限公司 | 2020-01-17 | — | — | CN | claimed |
| CN-110698492-A | Preparation method of darunavir | 雅本化学股份有限公司 | 2020-01-17 | — | — | CN | disclosed |