Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20025012 | 0.83 | ALDH1A1 (0.60) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD | |
| SCHEMBL20025493 | 0.83 | SLC6A2 (0.43) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD | |
| SCHEMBL20025464 | 0.81 | PIK3CA (0.44) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD | |
| SCHEMBL20025471 | 0.80 | ADRB1 (0.61) | KDM4ESLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL20025469 | 0.80 | SLC6A2 (0.48) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD | |
| SCHEMBL20025468 | 0.80 | SLC6A2 (0.41) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD | |
| SCHEMBL20025482 | 0.78 | SLC6A2 (0.46) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD | |
| SCHEMBL20025483 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD | |
| SCHEMBL20025491 | 0.77 | CYP2D6 (0.40) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD | |
| SCHEMBL20025486 | 0.77 | SLC6A2 (0.46) | ALDH1A1HSD17B10CYP2D6CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018059537-A1 | DIAZASPIRO[5.5]UNDECANE DERIVATIVE AND USE THEREOF | 四川海思科制药有限公司 | 2018-04-05 | — | — | WO | disclosed |