Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LIPA | P38571 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11229398 | 0.90 | HSD17B10 (0.40) | CYP2C19LMNAHSD17B10 | |
| SCHEMBL20565021 | 0.79 | TSHR (0.33) | CYP2C19TSHRALDH1A1LIPACYP2D6 | |
| SCHEMBL17729244 | 0.72 | SHBG (0.33) | — | |
| SCHEMBL27489829 | 0.70 | KDM4E (0.39) | LMNAHSD17B10ALDH1A1CYP2D6 | |
| SCHEMBL2344965 | 0.70 | RECQL (0.37) | CYP2C19HSD17B10CYP2D6 | |
| SCHEMBL2873676 | 0.69 | — | — | |
| SCHEMBL2077911 | 0.69 | — | — | |
| SCHEMBL28107685 | 0.68 | CYP2D6 (0.41) | CYP2C19LMNAHSD17B10TSHRALDH1A1 | |
| SCHEMBL9949923 | 0.68 | LMNA (0.38) | CYP2C19LMNAHSD17B10 | |
| SCHEMBL2335573 | 0.68 | EPHX1 (0.34) | HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5350760-A | Aza-5,5-fused hetrocyclic acids as leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1994-09-27 | — | — | US | disclosed |