Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4754882 | 1.00 | CA12 (0.38) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL2343860 | 0.84 | CYP3A4 (0.41) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL13872437 | 0.84 | CYP3A4 (0.41) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL72728 | 0.84 | CYP3A4 (0.41) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL10338630 | 0.84 | CYP3A4 (0.41) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL15770772 | 0.81 | STAT3 (0.38) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL7767515 | 0.80 | HPGD (0.43) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL13707926 | 0.79 | CYP3A4 (0.39) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL19713666 | 0.79 | CYP3A4 (0.39) | CA12CA1CA9CYP3A4CYP2D6 | |
| SCHEMBL16488733 | 0.79 | CYP3A4 (0.39) | CA12CA1CA9CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008157330-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |