Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 14/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 14/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153001 | 0.89 | BACE1 (0.41) | LTB4RLTB4R2 | |
| SCHEMBL20152903 | 0.86 | BACE1 (0.42) | LTB4RLTB4R2 | |
| SCHEMBL20152940 | 0.86 | LTB4R (0.39) | LTB4RLTB4R2 | |
| SCHEMBL20153010 | 0.76 | LTB4R (0.45) | LTB4RLTB4R2PTGS1PTGS2 | |
| SCHEMBL21363228 | 0.70 | ALOX15 (0.48) | PTGS1PTGS2 | |
| SCHEMBL20152909 | 0.70 | CYP3A4 (0.36) | — | |
| SCHEMBL20152897 | 0.69 | ESR1 (0.33) | — | |
| SCHEMBL19067821 | 0.67 | ALOX15 (0.54) | PTGS1PTGS2 | |
| SCHEMBL20153032 | 0.66 | TYR (0.37) | — | |
| SCHEMBL20152917 | 0.65 | ESR2 (0.46) | — |
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-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |