Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ACP3 | P15309 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7675052 | 0.91 | CA1 (0.61) | CA4LTA4HCA1CA2CES2 | |
| SCHEMBL29175711 | 0.80 | CA4 (0.54) | CA4LTA4HCA1CA2CES2 | |
| SCHEMBL158572 | 0.80 | BBOX1 (0.58) | CA4CA1CA2CES2CES1 | |
| 1,4-Dimethoxybenzene SCHEMBL27781098 | 0.77 | CA1 (0.85) | CA4LTA4HCA1CA2CES2 | |
| Anisole SCHEMBL28189492 | 0.76 | CA4 (0.70) | CA4LTA4HCA1CA2CES2 | |
| SCHEMBL11130505 | 0.74 | CA1 (0.52) | LTA4HCA1CA2CES2CES1 | |
| Anisole SCHEMBL28813915 | 0.74 | CA4 (1.00) | CA4LTA4HCA1CA2CES2 | |
| Anisole SCHEMBL10721106 | 0.74 | CA4 (1.00) | CA4LTA4HCA1CA2CES2 | |
| Anisole SCHEMBL30601749 | 0.74 | — | — | |
| Anisole SCHEMBL8472521 | 0.74 | CA4 (1.00) | CA4LTA4HCA1CA2CES2 |
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-114805156-B | Method for preparing asymmetric aryl seleno ether compound by copper catalysis under room temperature and water phase conditions | 浙江工业大学 | 2024-03-26 | — | — | CN | disclosed |