Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL6316200 | 0.90 | HSD17B10 (0.56) | HSD17B10SOS1ALDH1A1KDM4EGAA | |
| SCHEMBL11701192 | 0.83 | ALDH1A1 (0.60) | HSD17B10ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL30329399 | 0.83 | HSD17B10 (1.00) | HSD17B10ALDH1A1KDM4ENR4A1NR4A2 | |
| SCHEMBL1449076 | 0.83 | HSD17B10 (1.00) | HSD17B10ALDH1A1KDM4ENR4A1NR4A2 | |
| SCHEMBL28289970 | 0.83 | HSD17B10 (0.47) | HSD17B10SOS1ALDH1A1KDM4EGAA | |
| Hydrochloric Acid SCHEMBL11166393 | 0.81 | HSD17B10 (0.96) | HSD17B10ALDH1A1KDM4ENR4A1NR4A2 | |
| SCHEMBL28379363 | 0.80 | SOS1 (0.56) | HSD17B10SOS1ALDH1A1KDM4EGAA | |
| Benzanthrone SCHEMBL28161045 | 0.80 | CASP1 (0.58) | HSD17B10SOS1ALDH1A1KDM4EGAA | |
| SCHEMBL123193 | 0.79 | ALDH1A1 (0.69) | HSD17B10SOS1ALDH1A1KDM4EGAA | |
| SCHEMBL14322660 | 0.79 | ALDH1A1 (0.56) | HSD17B10ALDH1A1KDM4EGAAHPGD |
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-109665958-A | A kind of method that ruthenium catalysis prepares polysubstituted 1- naphthoic acid class compound | 广州大学 | 2019-04-23 | — | — | CN | disclosed |