Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 8/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | UCHL5 | Q9Y5K5 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL28398052 | 1.00 | AURKA (0.48) | AURKAAURKBHDAC3HDAC1HDAC6 | |
| SCHEMBL28397320 | 0.86 | TP53 (0.52) | HDAC3HDAC1HDAC6HDAC2HDAC10 | |
| SCHEMBL29863344 | 0.86 | TP53 (0.52) | HDAC3HDAC1HDAC6HDAC2HDAC10 | |
| SCHEMBL28405182 | 0.81 | KDM4E (0.54) | HDAC3HDAC1HDAC6HDAC2HDAC10 | |
| SCHEMBL29863008 | 0.81 | KDM4E (0.54) | HDAC3HDAC1HDAC6HDAC2HDAC10 | |
| SCHEMBL29862908 | 0.81 | HDAC3 (0.54) | AURKAAURKBHDAC3HDAC1HDAC6 | |
| SCHEMBL28400450 | 0.81 | HDAC3 (0.54) | AURKAAURKBHDAC3HDAC1HDAC6 | |
| SCHEMBL29862939 | 0.77 | KMT2A (0.56) | HDAC3HDAC1HDAC6HDAC2HDAC10 | |
| SCHEMBL28396447 | 0.77 | KMT2A (0.56) | HDAC3HDAC1HDAC6HDAC2HDAC10 | |
| SCHEMBL29862961 | 0.77 | TP53 (0.53) | AURKAAURKBHDAC3HDAC1HDAC6 |
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-111057015-B | 2- (4-phenyl-1H-1, 2, 3-triazole-1-yl) acetic acid and acethydrazide compounds | 中国医科大学 | 2022-09-16 | — | — | CN | claimed |
| CN-111057015-B | 2- (4-phenyl-1H-1, 2, 3-triazole-1-yl) acetic acid and acethydrazide compounds | 中国医科大学 | 2022-09-16 | — | — | CN | disclosed |