Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2151200 | 0.91 | CA12 (0.49) | CA2CA12CA1CA7CA14 | |
| SCHEMBL4290352 | 0.91 | CA12 (0.47) | CA2CA12CA1CA7CA14 | |
| SCHEMBL29132700 | 0.88 | CA2 (0.45) | CA2CA12CA1CA7CA14 | |
| SCHEMBL4298010 | 0.82 | CA12 (0.42) | CA2CA12CA9STAT3CYP1A2 | |
| SCHEMBL24128107 | 0.82 | CA12 (0.40) | CA2CA12CA1CA7CA14 | |
| SCHEMBL4753838 | 0.81 | CA12 (0.47) | CA2CA12CA1CA7CA9 | |
| SCHEMBL10486332 | 0.81 | GAA (0.42) | CA2CA12CA1CA7CA9 | |
| SCHEMBL780731 | 0.81 | GAA (0.42) | CA2CA12CA1CA7CA9 | |
| SCHEMBL23533337 | 0.81 | MCHR1 (0.42) | CA2CA12CA9STAT3CYP1A2 | |
| SCHEMBL4203522 | 0.80 | CA2 (0.50) | CA2CA12CA1CA7CA9 |
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-104803905-B | A kind of method for synthesizing the ketone derivatives of isoindoline 1 | 复旦大学 | 2017-10-10 | — | — | CN | claimed |
| CN-104803905-A | Method for synthesizing isoindoline-1-ketone derivative | UNIV FUDAN | 2015-07-29 | — | — | CN | disclosed |