Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28994282 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| Biphenyl SCHEMBL28058633 | 0.74 | BACE1 (0.33) | DRD1 | |
| SCHEMBL22706042 | 0.72 | GPR84 (0.31) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22472467 | 0.71 | DRD1 (0.36) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22707470 | 0.71 | GPR84 (0.31) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22707463 | 0.71 | GPR84 (0.33) | — | |
| SCHEMBL22472518 | 0.70 | DRD1 (0.40) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL25592574 | 0.70 | DRD1 (0.38) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22707220 | 0.70 | BACE1 (0.31) | ALDH1A1CYP2C9HPGDALOX15ALOX12 | |
| SCHEMBL22707096 | 0.70 | GPR84 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097400-A2 | FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008082009-A2 | FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2008-07-10 | — | — | WO | disclosed |