Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | SLC40A1 | Q9NP59 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19019674 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL17069302 | 0.80 | PDE2A (0.50) | ALDH1A1L3MBTL1MEN1KMT2ACNR2 | |
| SCHEMBL30137559 | 0.79 | CA1 (0.55) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL6684584 | 0.79 | CA1 (0.55) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL4991537 | 0.78 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL20085640 | 0.77 | NPC1 (0.42) | ALDH1A1SLC40A1L3MBTL1RAB9AMAPT | |
| SCHEMBL4306864 | 0.77 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL11092676 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL10127000 | 0.75 | TDP1 (0.45) | ALDH1A1KDM4EHSD17B10SLC40A1L3MBTL1 | |
| SCHEMBL28090703 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDSLC40A1PKM |
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-106187915-A | There is inhibitor of ALK Yu EGFR double activity and its preparation method and application | 上海翰森生物医药科技有限公司 | 2016-12-07 | — | — | CN | disclosed |