Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.45 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.45 |
| ▸ | CPA1 | P15085 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12489099 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 | |
| SCHEMBL2193840 | 0.95 | HSD17B10 (0.53) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 | |
| SCHEMBL2195941 | 0.95 | HSD17B10 (0.53) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 | |
| SCHEMBL12488545 | 0.90 | ALDH1A1 (0.42) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 | |
| SCHEMBL2179845 | 0.90 | ALDH1A1 (0.42) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 | |
| SCHEMBL2190466 | 0.89 | HCRTR1 (0.47) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 | |
| SCHEMBL2194705 | 0.89 | HCRTR1 (0.47) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 | |
| SCHEMBL2194905 | 0.88 | ALDH1A1 (0.51) | ALDH1A1KDM4EHSD17B10LMNAMEN1 | |
| SCHEMBL2179610 | 0.86 | ALDH1A1 (0.52) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 | |
| SCHEMBL12488611 | 0.86 | ALDH1A1 (0.52) | ALDH1A1HCRTR1HCRTR2KDM4EHSD17B10 |
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-2011082077-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-07-07 | — | — | WO | claimed |