Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28061870 | 0.84 | CNR2 (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29809414 | 0.83 | ACHE (0.59) | KMT2AACHEDHPSKDM4EMEN1 | |
| SCHEMBL1757848 | 0.83 | ACHE (0.59) | KMT2AACHEDHPSKDM4EMEN1 | |
| SCHEMBL28061820 | 0.83 | MAPT (0.58) | KMT2AACHECYP11B1CYP11B2DRD4 | |
| SCHEMBL13392342 | 0.81 | PSMB1 (0.48) | KMT2AACHEDHPSMEN1ALDH1A1 | |
| SCHEMBL31241086 | 0.81 | PSMB1 (0.48) | KMT2AACHEDHPSMEN1ALDH1A1 | |
| SCHEMBL2120980 | 0.81 | MAPK14 (0.48) | KMT2AACHEIDO1DHPSMEN1 | |
| SCHEMBL30218821 | 0.79 | HTR6 (0.55) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL6086304 | 0.79 | HTR6 (0.55) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL6171027 | 0.79 | EGLN1 (0.53) | KMT2AKDM4EALDH1A1LMNASMN1; SMN2 |
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-105503724-B | A kind of preparation method of the polysubstituted compound of isobioquin group of 2 benzyl 1 | 湘潭大学 | 2018-01-30 | — | — | CN | disclosed |
| CN-105503724-A | Preparation method of polysubstituted 2-benzyl-1-isoquinolone compound | UNIV XIANGTAN | 2016-04-20 | — | — | CN | disclosed |