Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL332092 | 0.98 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| SCHEMBL1405888 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| SCHEMBL5160187 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| SCHEMBL27638846 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| SCHEMBL8340717 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| SCHEMBL1022544 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| SCHEMBL2890499 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| SCHEMBL1023382 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| SCHEMBL22722988 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 | |
| Ammonia Solution, Strong SCHEMBL27552798 | 0.97 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 |
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-105412125-B | 3,5- di-tert-butyl salicylic acid copper are being prepared for treating the application in high metastatic breast cancer drug | 江汉大学 | 2018-05-22 | — | — | CN | disclosed |
| CN-105412125-A | Application of 3,5-di-tert-butyl copper salicylate to preparing drug for treating high-metastatic breast cancer | UNIV JIANGHAN | 2016-03-23 | — | — | CN | disclosed |