Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | TNF | P01375 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1757848 | 0.87 | ACHE (0.59) | MAPTKMT2AMEN1LMNAACHE | |
| SCHEMBL29809414 | 0.87 | ACHE (0.59) | MAPTKMT2AMEN1LMNAACHE | |
| SCHEMBL28061821 | 0.86 | TNF (0.47) | MAPTTP53POLBKMT2AMEN1 | |
| SCHEMBL28061870 | 0.84 | CNR2 (0.49) | KMT2AMEN1LMNAACHETNF | |
| SCHEMBL5183061 | 0.84 | MAPT (0.55) | MAPTTP53POLBKMT2ATHRB | |
| SCHEMBL31667042 | 0.84 | NLRP3 (0.49) | POLBKMT2AMEN1LMNAACHE | |
| SCHEMBL3223243 | 0.84 | MAPT (0.57) | MAPTTP53POLBKMT2AMEN1 | |
| SCHEMBL28061820 | 0.84 | MAPT (0.58) | MAPTTP53POLBKMT2AMEN1 | |
| SCHEMBL13591316 | 0.82 | POLB (0.51) | MAPTTP53POLBKMT2ATHRB | |
| SCHEMBL28525032 | 0.81 | KDM4E (0.47) | MAPTPOLBKMT2ALMNAACHE |
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 |