Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 15/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 14/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 14/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 14/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 14/20 | 0.60 |
| ▸ | HDAC5 | Q9UQL6 | 14/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 14/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 14/20 | 0.60 |
| ▸ | HDAC7 | Q8WUI4 | 13/20 | 0.60 |
| ▸ | HDAC9 | Q9UKV0 | 13/20 | 0.60 |
| ▸ | HDAC10 | Q969S8 | 13/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | BRD4 | O60885 | 1/20 | 0.59 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL3067050 | 0.97 | HPGD (0.66) | ALDH1A1HPGDHDAC1HDAC4HDAC11 | |
| SCHEMBL18286402 | 0.91 | MAPT (0.64) | ALDH1A1HPGDHDAC1HDAC4HDAC11 | |
| SCHEMBL5592685 | 0.90 | MAPT (0.63) | ALDH1A1HPGD | |
| SCHEMBL1233439 | 0.90 | HDAC1 (0.66) | ALDH1A1HPGDHDAC1HDAC4HDAC11 | |
| SCHEMBL18256373 | 0.87 | KLK7 (0.57) | ALDH1A1HPGDHDAC1HDAC4HDAC11 | |
| SCHEMBL12744125 | 0.87 | HDAC1 (0.57) | ALDH1A1HPGDHDAC1HDAC4HDAC11 | |
| SCHEMBL18256371 | 0.86 | KLK7 (0.56) | ALDH1A1HDAC1HDAC4HDAC11HDAC8 | |
| SCHEMBL16409794 | 0.85 | EPHX2 (0.66) | HPGDHDAC1HDAC4HDAC11HDAC8 | |
| SCHEMBL541048 | 0.85 | LMNA (0.68) | ALDH1A1HDAC1HDAC4HDAC11HDAC8 | |
| SCHEMBL313148 | 0.84 | HDAC4 (0.68) | HDAC1HDAC4HDAC11HDAC8HDAC6 |
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-112574054-B | Efficient nitriding reagent and application thereof | 北京大学 | 2022-10-14 | — | — | CN | disclosed |