Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL3132273 | 0.96 | NR1D1 (0.48) | NR1D1KCNH2TSHRNR1H3PPARG | |
| SCHEMBL13014392 | 0.91 | NR1D1 (0.49) | NR1D1KCNH2TSHRNR1H3PPARG | |
| SCHEMBL15388528 | 0.83 | NR1D1 (0.48) | NR1D1KCNH2TSHRNR1H3PPARG | |
| SCHEMBL17986044 | 0.81 | NR1D1 (0.42) | NR1D1KCNH2MMP1MMP2MMP9 | |
| SCHEMBL3773796 | 0.80 | NR1D1 (0.42) | NR1D1KCNH2MAPTL3MBTL1 | |
| SCHEMBL17986065 | 0.77 | NR1D1 (0.43) | NR1D1KCNH2 | |
| SCHEMBL3773804 | 0.77 | NR1D1 (0.40) | NR1D1KCNH2MAPTL3MBTL1 | |
| SCHEMBL13014059 | 0.76 | NR1D1 (0.39) | NR1D1KCNH2MAPTL3MBTL1 | |
| SCHEMBL13014102 | 0.76 | NR1D1 (0.52) | NR1D1KCNH2TSHRNR1H3PPARG | |
| SCHEMBL15388422 | 0.76 | NR1D1 (0.52) | NR1D1KCNH2TSHRNR1H3PPARG |
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-2010011367-A2 | BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING | ILLINOIS INSTITUTE OF TECHNOLOGY (US) | 2010-01-28 | — | — | WO | disclosed |