Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA7 | P43166 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17869783 | 0.81 | ATM (0.39) | ALDH1A1KDM4EALOX15TSHRHSD17B10 | |
| SCHEMBL31053360 | 0.79 | TSHR (0.46) | ALDH1A1JMJD6CA12CA1CA2 | |
| SCHEMBL23480806 | 0.77 | MAP3K5 (0.42) | ALDH1A1JMJD6CA12CA1CA2 | |
| SCHEMBL596995 | 0.76 | ALDH1A1 (0.41) | ALDH1A1JMJD6CA12CA1CA2 | |
| SCHEMBL21961374 | 0.71 | NR4A2 (0.36) | ALDH1A1KDM4EPOLBRAB9AMAPT | |
| SCHEMBL31499306 | 0.69 | GAA (0.42) | JMJD6KDM4ETSHRMAPTATM | |
| SCHEMBL15884497 | 0.69 | ADORA3 (0.43) | ALDH1A1JMJD6KDM4EPOLBTSHR | |
| SCHEMBL19500120 | 0.68 | NPC1 (0.51) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL12491190 | 0.67 | TSHR (0.47) | ALDH1A1JMJD6CA12CA1CA2 | |
| SCHEMBL9788721 | 0.67 | CA12 (0.50) | ALDH1A1CA12CA1CA2CA7 |
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-2018064119-A1 | CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF | BLADE THERAPEUTICS, INC. (US) | 2018-04-05 | — | — | WO | disclosed |