Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736655 | 0.87 | HSD17B10 (0.47) | CYP2C19HSD17B10ALDH1A1GAAUSP2 | |
| SCHEMBL4741026 | 0.86 | ALDH1A1 (0.52) | CYP2C19ALDH1A1GAAUSP2MAPK1 | |
| SCHEMBL4740080 | 0.85 | GAA (0.47) | CYP2C19HSD17B10ALDH1A1GAAUSP2 | |
| SCHEMBL4787140 | 0.84 | POLB (0.51) | CYP2C19HSD17B10ALDH1A1GAAUSP2 | |
| SCHEMBL4740406 | 0.83 | ALDH1A1 (0.44) | ALDH1A1GAAUSP2MAPK1MEN1 | |
| SCHEMBL4795192 | 0.79 | CYP3A4 (0.55) | CYP2C19HSD17B10ALDH1A1GAAMEN1 | |
| SCHEMBL4740908 | 0.78 | P2RX7 (0.49) | CYP2C19HSD17B10GAAUSP2MAPK1 | |
| SCHEMBL4740423 | 0.77 | SIRT2 (0.48) | ALDH1A1GAAUSP2MEN1KMT2A | |
| SCHEMBL4807472 | 0.76 | CYP3A4 (0.50) | CYP2C19HSD17B10ALDH1A1GAAMEN1 | |
| SCHEMBL4740126 | 0.75 | CCR1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008087654-A2 | PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 | CADILA HEALTHCARE LIMITED (IN) | 2008-07-24 | — | — | WO | claimed |