Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3436359 | 0.87 | NOTUM (0.54) | TSHRALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL2451467 | 0.85 | TSHR (0.56) | TSHRALDH1A1MAPTHPGDMEN1 | |
| SCHEMBL3436354 | 0.84 | MAPT (0.60) | TSHRALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL3436317 | 0.83 | ALDH1A1 (0.62) | TSHRALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL23721539 | 0.82 | ALOX15 (0.51) | TSHRALDH1A1KMT2ANOTUM | |
| SCHEMBL3436353 | 0.80 | ALDH1A1 (0.48) | TSHRALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL15530149 | 0.78 | KDM4E (0.42) | ALDH1A1MAPTSIRT1MEN1KMT2A | |
| SCHEMBL3436516 | 0.76 | TSHR (0.47) | TSHRALDH1A1AKR1C3ADRB1AR | |
| SCHEMBL3436349 | 0.76 | SLC18A3 (0.54) | TSHRALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL3436351 | 0.76 | SLC18A3 (0.54) | TSHRALDH1A1MAPTHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026056-A | As the 1,3,4- oxadiazole amide derivative compounds of 6 inhibitor of histone deacetylase and the pharmaceutical composition containing it | 株式会社钟根堂 | 2018-05-11 | — | — | CN | disclosed |