Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LGMN | Q99538 | 2/20 | 0.46 |
| ▸ | MLYCD | O95822 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | ME2 | P23368 | 1/20 | 0.43 |
| ▸ | ME1 | P48163 | 1/20 | 0.43 |
| ▸ | ME3 | Q16798 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL19823017 | 0.90 | CA12 (0.44) | CA12CA2CA9AKR1C3ALDH1A1 | |
| SCHEMBL17278980 | 0.86 | CA12 (0.41) | CA12CA2CA9AKR1C3ALDH1A1 | |
| SCHEMBL28650484 | 0.85 | CA12 (0.65) | CA12CA2CA9AKR1C3MAPT | |
| SCHEMBL13285321 | 0.81 | CA12 (0.56) | CA12CA2CA9AKR1C3ALDH1A1 | |
| SCHEMBL28842325 | 0.81 | CA12 (0.56) | CA12CA2CA9AKR1C3ALDH1A1 | |
| SCHEMBL19844455 | 0.80 | DPP4 (0.43) | CA12CA2CA9AKR1C3ALDH1A1 | |
| SCHEMBL14329225 | 0.80 | MAPT (0.49) | CA12CA2CA9AKR1C3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28572379 | 0.79 | CA12 (0.54) | CA12CA2CA9AKR1C3ALDH1A1 | |
| SCHEMBL5153946 | 0.79 | CA12 (0.54) | CA12CA2CA9AKR1C3ALDH1A1 | |
| SCHEMBL2203983 | 0.78 | AKR1C3 (0.68) | CA12CA2CA9AKR1C3ALDH1A1 |
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-108137518-A | As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition | 株式会社钟根堂 | 2018-06-08 | — | — | CN | disclosed |