Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 3/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6804336 | 0.98 | ALDH1A1 (0.40) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL6804343 | 0.98 | ALDH1A1 (0.40) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL6769503 | 0.80 | ALDH1A1 (0.42) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL17715691 | 0.78 | ALDH1A1 (0.42) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL1208925 | 0.78 | ALDH1A1 (0.55) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL6808670 | 0.78 | ALDH1A1 (0.55) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL8651989 | 0.78 | ALDH1A1 (0.55) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL4742218 | 0.78 | ALDH1A1 (0.42) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL11468062 | 0.78 | ATM (0.42) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL13999779 | 0.77 | EPHX1 (0.48) | ALDH1A1EPHX1CA12CA1CA2 |
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-107032992-A | A kind of synthetic method of (R) 4 (tert-butoxy) 2 (cyclopentyl-methyl) 4 ketobutyric acid | 华东师范大学 | 2017-08-11 | — | — | CN | disclosed |