Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NHERF1 | O14745 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28705990 | 0.85 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14321044 | 0.84 | ALDH1A1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL257249 | 0.83 | KDM4E (0.50) | MAPTCYP1A2RAB9APOLBMEN1 | |
| Ethylparaben SCHEMBL18606617 | 0.82 | CA12 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29586829 | 0.82 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL274513 | 0.82 | CA1 (0.68) | NHERF1CA12CA1CA2CA7 | |
| SCHEMBL29907920 | 0.81 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| Benzocaine SCHEMBL8411424 | 0.81 | LMNA (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1615670 | 0.80 | CA1 (0.66) | NHERF1CA12CA1CA2CA7 | |
| SCHEMBL2989285 | 0.80 | CA12 (0.66) | NHERF1CA12CA1CA2CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112262002-B | Compound for repairing contaminated soil or contaminated water | FNG研究有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-115052855-A | Preparation method of amide compound, crystal form and salt thereof | 昊运股份有限公司 | 2022-09-13 | — | — | CN | disclosed |