Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | AGER | Q15109 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL7340557 | 0.92 | CA12 (0.41) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL17693358 | 0.88 | ALDH1A1 (0.39) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL4204339 | 0.85 | MCHR1 (0.41) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL4204331 | 0.85 | MCHR1 (0.41) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL4204335 | 0.85 | MCHR1 (0.41) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL12936205 | 0.83 | CA12 (0.41) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL12371510 | 0.81 | CA9 (0.40) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL4574543 | 0.81 | CA12 (0.43) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL17427980 | 0.81 | CA12 (0.40) | CA12CA9CA1CA2STAT3 | |
| SCHEMBL9486162 | 0.81 | CA12 (0.43) | CA12CA9CA1CA2STAT3 |
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-105152827-A | Cross coupling reaction of arenesulphonate substrate and organic titanium | SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY | 2015-12-16 | — | — | CN | disclosed |