Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL1258715 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4951135 | 0.84 | BACE1 (0.42) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL11401297 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29789973 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8536324 | 0.78 | CYP3A4 (0.52) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL1922269 | 0.78 | CYP3A4 (0.76) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL618983 | 0.77 | CYP3A4 (0.39) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL10775408 | 0.75 | ALDH1A1 (0.44) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL449613 | 0.75 | CYP3A4 (0.58) | CYP3A4CYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13597755 | 0.74 | GRM5 (0.42) | PTPN11BACE1 |
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-110642844-B | 3-position indole substituted isobenzofuranone compound and preparation method thereof | 郑州大学 | 2023-03-03 | — | — | CN | disclosed |
| CN-114031613-A | 1- (benzo [ b ] thiophene-7-yl) -indole derivative and synthetic method thereof | 湖南第一师范学院 | 2022-02-11 | — | — | CN | disclosed |