Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | LIPE | Q05469 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9345057 | 0.95 | CNR1 (0.39) | CNR1CNR2ESR2GNAI3GNAO1 | |
| SCHEMBL9499480 | 0.78 | MAPT (0.44) | CA12CA1CA2CA9 | |
| SCHEMBL9498594 | 0.76 | GSTP1 (0.42) | CA12CA1CA2CA9HDAC1 | |
| SCHEMBL9795208 | 0.73 | MAPT (0.45) | CA12CA1CA2CA9 | |
| SCHEMBL2013185 | 0.73 | ESR2 (0.39) | ESR2CA12CA1CA2CA4 | |
| SCHEMBL9345633 | 0.72 | GNAI3 (0.44) | CNR1CNR2GNAI3GNAO1GNAI1 | |
| SCHEMBL2009659 | 0.72 | MEN1 (0.51) | ESR2CA12CA1CA2CA4 | |
| SCHEMBL24354812 | 0.72 | MAPT (0.43) | CNR1CNR2GNAI3GNAO1GNAI1 | |
| SCHEMBL9795136 | 0.71 | MAPT (0.43) | CA12CA1CA2CA9 | |
| SCHEMBL16010753 | 0.71 | GNAI3 (0.69) | CNR1CNR2GNAI3GNAO1GNAI1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5280031-A | Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5030641-A | Treatment of angina pectoris, hypotensive agents | BOEHRINGER MANNHEIM GMBH (DE) | 1991-07-09 | — | — | US | disclosed |