Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL746540 | 0.92 | CA12 (0.41) | CA12CA1CA9CYP2D6CYP1A2 | |
| SCHEMBL1144715 | 0.86 | CYP3A4 (0.39) | CA12CA1CA9CYP2D6CYP1A2 | |
| SCHEMBL19713666 | 0.86 | CYP3A4 (0.39) | CA12CA1CA9CYP2D6CYP1A2 | |
| SCHEMBL14403677 | 0.83 | CA12 (0.31) | CA12CA1CA9CYP3A4CYP2C9 | |
| SCHEMBL13872437 | 0.80 | CYP3A4 (0.41) | CA12CA1CA9CYP2D6CYP1A2 | |
| SCHEMBL72728 | 0.80 | CYP3A4 (0.41) | CA12CA1CA9CYP2D6CYP1A2 | |
| SCHEMBL2343860 | 0.80 | CYP3A4 (0.41) | CA12CA1CA9CYP2D6CYP1A2 | |
| SCHEMBL10338630 | 0.80 | CYP3A4 (0.41) | CA12CA1CA9CYP2D6CYP1A2 | |
| SCHEMBL8324198 | 0.78 | ESR1 (0.35) | CA12CA1CA9CYP2D6STAT3 | |
| SCHEMBL7767515 | 0.77 | HPGD (0.43) | CA12CA1CA9CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2433940-B9 | SPIROIMIDAZOLONE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2015-10-28 | — | — | EP | disclosed |