Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3822701 | 0.79 | ALDH1A1 (0.34) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL28677769 | 0.71 | GPR84 (0.42) | ALDH1A1HPGDHSD17B10GPR84 | |
| SCHEMBL22706042 | 0.68 | GPR84 (0.31) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22472467 | 0.67 | DRD1 (0.36) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22707470 | 0.67 | GPR84 (0.31) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22707463 | 0.67 | GPR84 (0.33) | GPR84 | |
| SCHEMBL22472518 | 0.66 | DRD1 (0.40) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL25592574 | 0.66 | DRD1 (0.38) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22707096 | 0.66 | GPR84 (0.33) | GPR84 | |
| SCHEMBL22707220 | 0.66 | BACE1 (0.31) | ALDH1A1CYP2C9HPGDALOX15ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111032647-B | Lysophosphatidic acid receptor 1 (LPAR 1) inhibitor compounds | 伊莱利利公司 | 2023-05-02 | — | — | CN | disclosed |