Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31169783 | 0.81 | GAA (0.64) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL3182522 | 0.81 | GAA (0.64) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL3190652 | 0.79 | GAA (0.61) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL5854983 | 0.79 | GAA (0.61) | CA12CA9CA2CA1ALDH1A1 | |
| Styrene SCHEMBL2495687 | 0.79 | ALDH1A1 (0.50) | CA12CA9CA2CA1ALDH1A1 | |
| Styrene SCHEMBL3134772 | 0.79 | TDP1 (0.67) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL10225934 | 0.78 | GAA (0.52) | CA12CA9CA2CA1ALDH1A1 | |
| Styrene SCHEMBL2361403 | 0.77 | ALDH1A1 (0.74) | ALDH1A1KDM4ECYP3A4HPGDALOX12 | |
| Styrene SCHEMBL9583045 | 0.75 | ALDH1A1 (0.70) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| Styrene SCHEMBL1974109 | 0.75 | ALDH1A1 (0.70) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 |
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-111593370-A | Method for synthesizing 2, 3-hydrogenated indoline compound by low-temperature electrocatalysis | 中国科学技术大学 | 2020-08-28 | — | — | CN | disclosed |