Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PKLR | P30613 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 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 | |
|---|---|---|---|---|
| SCHEMBL30950005 | 0.82 | NFE2L2 (0.35) | ALDH1A1HSD17B10TDP1SLC40A1TRPV4 | |
| SCHEMBL1300770 | 0.77 | NAPRT (0.31) | ALDH1A1HSD17B10TDP1NAPRT | |
| SCHEMBL532887 | 0.70 | PKM (0.50) | ALDH1A1HSD17B10TDP1SLC40A1NFE2L2 | |
| SCHEMBL18297654 | 0.70 | ERN1 (0.35) | ALDH1A1TDP1NFE2L2NAPRT | |
| SCHEMBL30986771 | 0.69 | CA1 (0.39) | ALDH1A1HSD17B10TDP1PKMPKLR | |
| SCHEMBL3523738 | 0.69 | CA1 (0.39) | ALDH1A1HSD17B10TDP1PKMPKLR | |
| SCHEMBL2046934 | 0.67 | ALDH1A1 (0.32) | ALDH1A1HSD17B10TDP1TRPV4 | |
| SCHEMBL2043008 | 0.67 | TRPV4 (0.54) | ALDH1A1HSD17B10TDP1SLC40A1TRPV4 | |
| SCHEMBL31028741 | 0.67 | TRPV4 (0.54) | ALDH1A1HSD17B10TDP1SLC40A1TRPV4 | |
| SCHEMBL9150140 | 0.66 | — | — |
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-2024153180-A1 | HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2024-07-25 | — | — | WO | disclosed |