Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | FPR1 | P21462 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4151496 | 0.84 | CA1 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL23475251 | 0.84 | ALDH1A1 (0.33) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10042458 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TDP1HSD17B10LMNA | |
| SCHEMBL19903149 | 0.78 | ALDH1A1 (0.43) | CA12CA1CA9ALDH1A1TDP1 | |
| SCHEMBL17424479 | 0.77 | CA12 (0.35) | CA12CA1CA2CA9 | |
| SCHEMBL19596149 | 0.77 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL16264142 | 0.74 | TDP1 (0.39) | ALDH1A1TDP1LMNA | |
| SCHEMBL17664802 | 0.74 | CA12 (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL20671835 | 0.72 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8045363 | 0.71 | ALDH1A1 (0.36) | ALDH1A1TDP1 |
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-1730142-B1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2011-06-29 | — | — | EP | disclosed |