Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA6 | P23280 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4844022 | 1.00 | ALDH1A1 (0.59) | ALDH1A1HPGDTSHRTP53CA12 | |
| SCHEMBL30786930 | 0.88 | ALDH1A1 (0.54) | ALDH1A1HPGDTSHRTP53CA12 | |
| SCHEMBL22530492 | 0.88 | ALDH1A1 (0.54) | ALDH1A1HPGDTSHRTP53CA12 | |
| SCHEMBL13812238 | 0.87 | ALDH1A1 (0.60) | ALDH1A1HPGDTSHRCA12CA1 | |
| SCHEMBL1419879 | 0.85 | ALDH1A1 (0.62) | ALDH1A1HPGDTSHRCA12CA1 | |
| SCHEMBL28343052 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HPGDTSHRTP53CA12 | |
| SCHEMBL15393730 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HPGDTSHRCA1CA2 | |
| SCHEMBL2051393 | 0.84 | XDH (0.50) | KDM4EXDH | |
| SCHEMBL2820180 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HPGDTSHRTP53CA12 | |
| SCHEMBL1267736 | 0.83 | KDM4E (0.57) | ALDH1A1HPGDTSHRTP53CA12 |
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-115160285-A | Thioamides ALDH 2 Agonist, preparation method and application | 云南大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-114173772-A | Inhibitors of CD40-CD154 binding | 托尼克斯医药控股公司 | 2022-03-11 | — | — | CN | disclosed |