Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CHKA | P35790 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.30 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL28086008 | 0.98 | ALDH1A1 (0.35) | ALDH1A1BTKDGAT1CTSK | |
| Azetidine SCHEMBL28336970 | 0.93 | DGAT1 (0.34) | HPGDBTKDGAT1GAACTSK | |
| Piperazine SCHEMBL6297563 | 0.89 | DGAT1 (0.34) | BTKDGAT1GAA | |
| Piperidine SCHEMBL1011879 | 0.81 | ALDH1A1 (0.38) | ALDH1A1HPGDDGAT1GAA | |
| SCHEMBL27945934 | 0.81 | ALDH1A1 (0.38) | ALDH1A1HPGDDGAT1GAA | |
| Piperidine SCHEMBL28747124 | 0.80 | ALDH1A1 (0.33) | ALDH1A1 | |
| Pyrrolidine SCHEMBL15206059 | 0.78 | ALDH1A1 (0.33) | ALDH1A1DGAT1CTSK | |
| SCHEMBL21436131 | 0.78 | DGAT1 (0.43) | ALDH1A1BTKDGAT1GAACA2 | |
| SCHEMBL74329 | 0.78 | — | — | |
| Piperidine SCHEMBL28869230 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CA2CHKAEPHX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104003979-B | Benzimidazolyl-2 radicals-piperazine compounds, its pharmaceutical composition and its production and use | 上海汇伦生命科技有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-105229002-A | BET protein inhibiting dihydropyridopyrazinones | Bayer Pharma AG | 2016-01-06 | — | — | CN | disclosed |
| CN-102234287-B | Nitro glyoxaline compound, Preparation Method And The Use | SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) | 2015-08-05 | — | — | CN | disclosed |