Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28841486 | 0.85 | MMP8 (0.54) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL5144292 | 0.82 | MMP8 (0.51) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL27639140 | 0.81 | MMP8 (0.48) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL12993700 | 0.77 | CA12 (0.44) | CA12CA1CA7CA14RECQL | |
| SCHEMBL16161985 | 0.77 | PPARG (0.43) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL16161984 | 0.77 | PPARG (0.43) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL8287363 | 0.75 | SMN1; SMN2 (0.50) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL28134677 | 0.75 | PTPN1 (0.50) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL7091384 | 0.75 | MMP8 (0.46) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL27987912 | 0.75 | SMN1; SMN2 (0.54) | MMP8SMN1; SMN2HIF1ASLC6A2TAAR1 |
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-1942457-A | 1,3, 5-substituted phenyl derivative compounds as beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK & CO INC (US) | 2007-04-04 | — | — | CN | disclosed |