Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ATF4 | P18848 | 4/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | AIMP2 | Q13155 | 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 | |
|---|---|---|---|---|
| SCHEMBL3353006 | 0.92 | ALDH1A1 (0.35) | ALDH1A1PROKR1FPR2HSD17B10ATF4 | |
| SCHEMBL3355693 | 0.92 | ALDH1A1 (0.37) | ALDH1A1PROKR1FPR2HSD17B10HSD11B1 | |
| SCHEMBL3355976 | 0.91 | ALDH1A1 (0.35) | ALDH1A1PROKR1FPR2HSD17B10ATF4 | |
| SCHEMBL3353515 | 0.90 | ALDH1A1 (0.38) | ALDH1A1PROKR1FPR2HSD17B10ATF4 | |
| SCHEMBL3353159 | 0.89 | ALDH1A1 (0.35) | ALDH1A1PROKR1FPR2HSD17B10HSD11B1 | |
| SCHEMBL3353165 | 0.89 | ALDH1A1 (0.35) | ALDH1A1PROKR1FPR2HSD17B10ATF4 | |
| SCHEMBL3353052 | 0.89 | ALDH1A1 (0.35) | ALDH1A1PROKR1FPR2HSD17B10ATF4 | |
| SCHEMBL3353173 | 0.87 | ALDH1A1 (0.36) | ALDH1A1PROKR1FPR2HSD17B10ATF4 | |
| SCHEMBL3353581 | 0.87 | ALDH1A1 (0.36) | ALDH1A1PROKR1FPR2HSD17B10ATF4 | |
| SCHEMBL3351809 | 0.87 | ALDH1A1 (0.35) | ALDH1A1PROKR1FPR2HSD17B10HSD11B1 |
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-2010068881-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-06-17 | — | — | WO | disclosed |