Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 3/20 | 0.32 |
| ▸ | PYGL | P06737 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL17850637 | 0.89 | CA12 (0.46) | EPHX1CA12CA9CA2ALDH1A1 | |
| SCHEMBL17850573 | 0.88 | LMNA (0.43) | EPHX1CA12CA9CA2ALDH1A1 | |
| SCHEMBL17850653 | 0.84 | EPHX1 (0.49) | EPHX1CA12CA9CA2ALDH1A1 | |
| SCHEMBL17850613 | 0.79 | CA12 (0.38) | CA12CA9CA2ALDH1A1HPGD | |
| SCHEMBL24503915 | 0.76 | CA12 (0.41) | CA12CA9CA2ALDH1A1HPGD | |
| SCHEMBL23801581 | 0.72 | CA12 (0.42) | CA12CA2ALDH1A1HPGDTSHR | |
| SCHEMBL21716653 | 0.71 | ALDH1A1 (0.42) | CA12ALDH1A1TSHRCA1KDM5B | |
| SCHEMBL13627778 | 0.71 | EPHX1 (0.39) | EPHX1ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL6201216 | 0.71 | CA12 (0.44) | CA12CA9CA2ALDH1A1HPGD | |
| SCHEMBL1375855 | 0.71 | ALDH1A1 (0.48) | CA12CA9CA2ALDH1A1HPGD |
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-2714036-B1 | SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS | ACHILLION PHARMACEUTICALS INC (US) | 2016-06-22 | — | — | EP | disclosed |