Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL17144709 | 1.00 | CA4 (0.54) | CA4ACHEL3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL144308 | 0.85 | ACHE (0.68) | ACHEL3MBTL1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL29352952 | 0.85 | ACHE (0.68) | ACHEL3MBTL1ALDH1A1CYP3A4TDP1 | |
| Ammonia Solution, Strong SCHEMBL6473680 | 0.83 | ACHE (0.65) | ACHEL3MBTL1ALDH1A1CYP3A4TDP1 | |
| Anisole SCHEMBL5671782 | 0.81 | CA4 (0.50) | CA4ACHEL3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL8484975 | 0.80 | NTRK1 (0.48) | ALDH1A1CYP3A4LTA4HSMN1; SMN2HPGD | |
| Anisole SCHEMBL8144116 | 0.79 | CA4 (0.64) | CA4ACHELTA4HNQO1MAPT | |
| Benzonitrile SCHEMBL6538058 | 0.79 | AR (0.51) | ACHEALDH1A1CYP3A4MAPTMEN1 | |
| Benzaldehyde SCHEMBL28452807 | 0.79 | TTR (0.50) | ACHEALDH1A1CYP3A4MAPTMEN1 | |
| SCHEMBL8303786 | 0.78 | ACHE (0.54) | ACHEL3MBTL1ALDH1A1CYP3A4LTA4H |
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-106458815-B | Condensed double-aryl fullerene derivate | 默克专利股份有限公司 | 2019-11-15 | — | — | CN | disclosed |
| CN-106458815-A | Fused bis-aryl fullerene derivatives | 默克专利股份有限公司 | 2017-02-22 | — | — | CN | disclosed |