Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.65 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.60 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.60 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.60 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | SCD | O00767 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28411916 | 0.84 | ACR (0.62) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL31341194 | 0.81 | HDAC1 (0.59) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL31341277 | 0.81 | HDAC1 (0.59) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL31341086 | 0.81 | HDAC1 (0.59) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL31341204 | 0.80 | HDAC1 (0.58) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL31341081 | 0.79 | HDAC1 (0.57) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL18585136 | 0.77 | HDAC6 (1.00) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL18585376 | 0.77 | HDAC6 (1.00) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL25359314 | 0.77 | PSMB8 (0.59) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL20865536 | 0.77 | CYP17A1 (0.68) | HDAC1HDAC6HDAC3HDAC10HDAC2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107474020-A | A kind of organic molecule and its recognition methods to ethamine, diethylamine, triethylamine with recognition reaction | 河南工程学院 | 2017-12-15 | — | — | CN | claimed |
| CN-107474020-B | Organic small molecule with recognition effect on ethylamine, diethylamine and triethylamine and recognition method thereof | 河南工程学院 | 2020-05-15 | — | — | CN | disclosed |
| CN-107474020-A | A kind of organic molecule and its recognition methods to ethamine, diethylamine, triethylamine with recognition reaction | 河南工程学院 | 2017-12-15 | — | — | CN | disclosed |