Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13176644 | 0.79 | NFE2L2 (0.41) | ALDH1A1CYP1A2NPSR1CYP3A4KDM4E | |
| SCHEMBL2059373 | 0.77 | CA12 (0.50) | ABCB1ABCG2RAF1ALDH1A1HPGD | |
| SCHEMBL2059371 | 0.77 | CA12 (0.50) | ABCB1ABCG2RAF1ALDH1A1HPGD | |
| SCHEMBL13177035 | 0.72 | ALDH1A1 (0.51) | ALDH1A1GLAMMP1MMP2MMP9 | |
| SCHEMBL5478309 | 0.69 | GLA (0.52) | ABCB1ABCG2RAF1ALDH1A1HPGD | |
| SCHEMBL5478305 | 0.69 | GLA (0.52) | ABCB1ABCG2RAF1ALDH1A1HPGD | |
| SCHEMBL2059378 | 0.69 | HCAR2 (0.50) | ALDH1A1NPSR1KDM4EATM | |
| SCHEMBL2059374 | 0.69 | HCAR2 (0.50) | ALDH1A1NPSR1KDM4EATM | |
| SCHEMBL12077149 | 0.69 | CYP2A6 (0.36) | ABCB1RAF1ALDH1A1CYP1A2FFAR4 | |
| SCHEMBL12077148 | 0.69 | CYP2A6 (0.36) | ABCB1RAF1ALDH1A1CYP1A2FFAR4 |
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-2014116651-A1 | TARGETING GLI PROTEINS IN HUMAN CANCER BY SMALL MOLECULES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-07-31 | — | — | WO | disclosed |