Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.57 |
| ▸ | ANPEP | P15144 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP14 | P50281 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL16252284 | 0.86 | ALDH1A1 (0.62) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL1881900 | 0.86 | SIGMAR1 (0.62) | SIGMAR1MMP9MMP8MMP14L3MBTL1 | |
| SCHEMBL1878623 | 0.86 | SIGMAR1 (0.62) | SIGMAR1MMP9MMP8MMP14L3MBTL1 | |
| SCHEMBL13532075 | 0.86 | ALDH1A1 (0.62) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL12637374 | 0.86 | SIGMAR1 (0.62) | SIGMAR1MMP9MMP8MMP14L3MBTL1 | |
| SCHEMBL25453629 | 0.86 | ALDH1A1 (0.62) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL12637371 | 0.86 | SIGMAR1 (0.62) | SIGMAR1MMP9MMP8MMP14L3MBTL1 | |
| SCHEMBL8197333 | 0.86 | SIGMAR1 (0.62) | SIGMAR1MMP9MMP8MMP14L3MBTL1 | |
| SCHEMBL29586638 | 0.83 | ALDH1A1 (0.59) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6936961 | 0.81 | MMP8 (0.54) | SIGMAR1MMP9MMP8MMP14TSHR |
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-0134392-A1 | Process for the virtual stereospecific preparation of optically active amino acid esters | Degussa Aktiengesellschaft (DE) | 1985-03-20 | — | — | EP | disclosed |