Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | FGF23 | Q9GZV9 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30995251 | 1.00 | ACHE (0.38) | ACHEERN1GRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL28407167 | 0.98 | ACHE (0.37) | ACHEERN1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL24959630 | 0.87 | CA9 (0.37) | ACHEERN1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL21883581 | 0.85 | HPGD (0.41) | ACHEERN1ALDH1A1LMNAHPGD | |
| SCHEMBL20148155 | 0.81 | EPAS1 (0.35) | ACHECA12CA1CA9HPGD | |
| SCHEMBL22164754 | 0.81 | ACHE (0.33) | ACHEALDH1A1L3MBTL1HPGDHSD17B10 | |
| SCHEMBL20150817 | 0.81 | EPAS1 (0.35) | ACHECA12CA1CA9HPGD | |
| SCHEMBL19769007 | 0.80 | AKR1B1 (0.37) | CES2CES1 | |
| SCHEMBL19780238 | 0.80 | AKR1B1 (0.37) | CES2CES1 | |
| SCHEMBL19743807 | 0.80 | KDM4E (0.41) | ALDH1A1L3MBTL1LMNAHPGDHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118530160-A | Aromatic heterocyclic compound, preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-110963922-B | Preparation method of 2,4, 6-trifluoro-benzylamine | 成都博腾药业有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-110845486-B | Triazole alcohol derivative and preparation method and application thereof | 中国人民解放军第二军医大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-110963922-A | Preparation method of 2, 4, 6-trifluoro-benzene methylamine | 成都博腾药业有限公司 | 2020-04-07 | — | — | CN | disclosed |
| CN-110845486-A | Triazole alcohol derivative and preparation method and application thereof | 中国人民解放军第二军医大学 | 2020-02-28 | — | — | CN | disclosed |