Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4966524 | 0.84 | CPT2 (0.46) | KMT2ALMNATDP1MEN1CYP2C19 | |
| Niacin SCHEMBL811549 | 0.80 | ALDH1A1 (0.55) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacinamide SCHEMBL580103 | 0.78 | F7 (0.55) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacinamide SCHEMBL31098926 | 0.75 | F7 (0.51) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL5465552 | 0.73 | ALDH1A1 (0.49) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Citric Acid SCHEMBL5352836 | 0.70 | F7 (0.65) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL2190166 | 0.70 | ACLY (0.64) | ALDH1A1KMT2ATDP1MEN1CYP2C19 | |
| SCHEMBL524570 | 0.70 | ALDH1A1 (0.60) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL6663877 | 0.69 | CPT2 (0.40) | KMT2ALMNAGPR52CYP2C19 | |
| SCHEMBL28185557 | 0.69 | CES2 (0.42) | ALDH1A1GAAKMT2AMEN1GPR52 |
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-2019154329-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | 上海海和药物研究开发有限公司 | 2019-08-15 | — | — | WO | disclosed |