Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 3/20 | 0.44 |
| ▸ | CA6 | P23280 | 3/20 | 0.44 |
| ▸ | CA5A | P35218 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15444607 | 0.87 | ALDH1A1 (0.48) | ALDH1A1HSP90AA1TP53MAPTKMT2A | |
| SCHEMBL17763537 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HSP90AA1MAPTKMT2APOLB | |
| SCHEMBL6311444 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HSP90AA1MAPTKMT2APOLB | |
| SCHEMBL20257485 | 0.78 | CA1 (0.45) | ALDH1A1HSP90AA1MAPTPOLBMAPK1 | |
| SCHEMBL11404962 | 0.78 | CA1 (0.47) | ALDH1A1HSP90AA1MAPTCA1CA2 | |
| SCHEMBL4456811 | 0.77 | CA1 (0.50) | ALDH1A1HSP90AA1MAPTPOLBMAPK1 | |
| SCHEMBL30865768 | 0.77 | CA1 (0.53) | ALDH1A1HSP90AA1POLBCA1CA2 | |
| SCHEMBL14816982 | 0.76 | PKM (0.49) | ALDH1A1HSP90AA1TP53MAPTKMT2A | |
| SCHEMBL872476 | 0.75 | BCL9 (0.43) | ALDH1A1HSP90AA1MAPTKMT2APOLB | |
| SCHEMBL368914 | 0.75 | F2 (0.49) | ALDH1A1HSP90AA1MAPTKMT2APOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103665042-B | Optically active 2-hydroxy tetrahydro thienopyridine derivative and its production and use | BEIJING PRELUDE PHARM TECHNOLOGY CO., LTD. (CN) | 2016-03-16 | — | — | CN | disclosed |
| CN-103665042-A | Optically active 2-hydroxyltetrahydrothienopyridine derivative as well as preparation method and use thereof | BEIJING PRELUDE PHARMACEUTICAL TECHNOLOGY CO LTD | 2014-03-26 | — | — | CN | disclosed |