Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | ELOVL1 | Q9BW60 | 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 | |
|---|---|---|---|---|
| SCHEMBL28848679 | 0.82 | BACE1 (0.38) | — | |
| SCHEMBL27827855 | 0.71 | HCAR2 (0.39) | HCAR2HDAC4HDAC9HCAR3 | |
| SCHEMBL28087884 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL27677328 | 0.67 | — | — | |
| SCHEMBL27587029 | 0.67 | — | — | |
| SCHEMBL28468921 | 0.66 | AKR1C1 (0.36) | HCAR2HDAC4HDAC9HCAR3ALDH1A1 | |
| SCHEMBL28046652 | 0.66 | CA1 (0.36) | HCAR2HCAR3 | |
| SCHEMBL27291893 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL27504677 | 0.65 | — | — | |
| SCHEMBL27488590 | 0.64 | CYP2C9 (0.30) | — |
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-104334554-B | It is used as 5 amino [Isosorbide-5-Nitrae] thiazide of BACE1 inhibitor | 霍夫曼-拉罗奇有限公司 | 2017-10-31 | — | — | CN | disclosed |