Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 3/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD5 | P21918 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL29680818 | 0.76 | ADORA2A (0.46) | ALDH1A1MAPTCYP11B1 | |
| SCHEMBL24528641 | 0.76 | ADORA2A (0.46) | ALDH1A1MAPTCYP11B1 | |
| SCHEMBL29680970 | 0.73 | HSP90AA1 (0.36) | ALDH1A1MAPT | |
| SCHEMBL24528676 | 0.73 | HSP90AA1 (0.36) | ALDH1A1MAPT | |
| SCHEMBL29680885 | 0.68 | CYP2A6 (0.39) | ALDH1A1MAPTCYP2A6CLK4 | |
| SCHEMBL24528632 | 0.68 | CYP2A6 (0.39) | ALDH1A1MAPTCYP2A6CLK4 | |
| SCHEMBL26091984 | 0.67 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP2A6BRAF | |
| SCHEMBL23637796 | 0.67 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP2A6DRD1BRAF | |
| SCHEMBL24528698 | 0.66 | ALDH1A1 (0.37) | ALDH1A1MAPTDRD1DRD2DRD4 | |
| SCHEMBL6919033 | 0.64 | CYP2A6 (0.48) | ALDH1A1CYP2A6DRD1DRD2DRD4 |
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-2022129376-A1 | 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2022-06-23 | — | — | WO | disclosed |