Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.56 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GGT1 | P19440 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL282647 | 0.98 | KDM4E (0.58) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| SCHEMBL27344732 | 0.96 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| SCHEMBL6559414 | 0.96 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| SCHEMBL27997727 | 0.96 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| SCHEMBL8645581 | 0.96 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| Bicarbonate SCHEMBL238203 | 0.96 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| Bicarbonate SCHEMBL29943603 | 0.96 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| SCHEMBL3360162 | 0.96 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| Bicarbonate SCHEMBL20694826 | 0.96 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDESR1 | |
| Benzoic Acid SCHEMBL14763731 | 0.91 | KDM4E (0.51) | KDM4EALDH1A1HSD17B10HPGDESR1 |
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-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 | claimed |