Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.33 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29385162 | 1.00 | KMT2A (0.42) | KMT2AL3MBTL1HAO1APPALDH1A1 | |
| SCHEMBL28692969 | 0.90 | ALOX5 (0.37) | KMT2AL3MBTL1HAO1APPALDH1A1 | |
| SCHEMBL29383553 | 0.90 | ALOX5 (0.37) | KMT2AL3MBTL1HAO1APPALDH1A1 | |
| SCHEMBL28681075 | 0.88 | KCNH2 (0.41) | ALDH1A1KDM4ENTRK1POLB | |
| SCHEMBL29385594 | 0.88 | KCNH2 (0.41) | ALDH1A1KDM4ENTRK1POLB | |
| SCHEMBL29386463 | 0.88 | KCNH2 (0.41) | ALDH1A1KDM4ENTRK1POLB | |
| SCHEMBL28677446 | 0.88 | HAO1 (0.42) | KMT2AL3MBTL1HAO1APPALDH1A1 | |
| SCHEMBL29386586 | 0.88 | HAO1 (0.42) | KMT2AL3MBTL1HAO1APPALDH1A1 | |
| SCHEMBL28710769 | 0.85 | AOC3 (0.43) | NTRK1NTRK3 | |
| SCHEMBL28693555 | 0.82 | KMT2A (0.33) | KMT2AHTR6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |