Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 7/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | PNP | P00491 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2027361 | 0.87 | HCAR2 (0.48) | HCAR2CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3515995 | 0.80 | ALDH1A1 (0.44) | SMN1; SMN2ELANEALDH1A1TSHR | |
| SCHEMBL6731313 | 0.79 | ALDH1A1 (0.50) | SMN1; SMN2PARP1HPGDALDH1A1TSHR | |
| SCHEMBL12640845 | 0.78 | HPGD (0.44) | LDHAHCAR2CYP1A2CYP2C9HPGD | |
| SCHEMBL23234756 | 0.77 | HPGD (0.48) | LDHAPARP1AURKACYP1A2CYP2C9 | |
| SCHEMBL3514631 | 0.75 | ALDH1A1 (0.41) | LDHASMN1; SMN2ELANEALDH1A1TSHR | |
| SCHEMBL3515379 | 0.75 | KDM4E (0.45) | SMN1; SMN2ELANECYP1A2ALDH1A1TSHR | |
| SCHEMBL3517696 | 0.74 | ALDH1A1 (0.40) | SMN1; SMN2ELANECYP2C19ALDH1A1TSHR | |
| SCHEMBL2023608 | 0.74 | HPGD (0.45) | LDHAHCAR2PARP1AURKACYP1A2 | |
| SCHEMBL3515597 | 0.73 | ALDH1A1 (0.42) | SMN1; SMN2KDM4CCYP2C9HPGDALDH1A1 |
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-2011075747-A1 | THERAPEUTIC COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-06-23 | — | — | WO | disclosed |