Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7635056 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CASP1HSD17B10CA1CA2 | |
| SCHEMBL7643253 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CASP1HSD17B10CA1CA2 | |
| SCHEMBL7636049 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CASP1HSD17B10CA1CA2 | |
| SCHEMBL7638695 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CASP1HSD17B10CA1CA2 | |
| SCHEMBL7637196 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CASP1HSD17B10CA1CA2 | |
| SCHEMBL7635753 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CASP1HSD17B10CA1CA2 | |
| SCHEMBL7636327 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CASP1HSD17B10RXRA | |
| SCHEMBL7642946 | 0.75 | CA1 (0.35) | ALDH1A1CASP1HSD17B10CA1CA2 | |
| SCHEMBL7942188 | 0.73 | KMT2A (0.38) | ALDH1A1CASP1HSD17B10CA1CA2 | |
| SCHEMBL7636295 | 0.73 | KMT2A (0.38) | ALDH1A1CASP1HSD17B10CA1CA2 |
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-1122229-A1 | Process for the preparation of condensed cyclopentadiene derivatives, 1, 3 disubstituted derivatives and metallocene type compounds containing them as ligand | HONSHU CHEMICAL INDUSTRY CO. LTD. (JP) | 2001-08-08 | — | — | EP | disclosed |