Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17887757 | 1.00 | NISCH (0.47) | NISCHADRA2AADRA2BADRA2CADRA1A | |
| Hydrochloric Acid SCHEMBL8327692 | 0.98 | NISCH (0.46) | NISCHADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL8322886 | 0.94 | ADRA2A (0.44) | NISCHADRA2AADRA2BADRA2CADRA1A | |
| Hydrochloric Acid SCHEMBL8852562 | 0.92 | GAA (0.43) | NISCHADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL17887813 | 0.82 | NISCH (0.43) | NISCHADRA2AADRA2BADRA2CLMNA | |
| SCHEMBL17887578 | 0.82 | NISCH (0.43) | NISCHADRA2AADRA2BADRA2CLMNA | |
| SCHEMBL17887666 | 0.81 | PIM1 (0.41) | NISCHADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL6471269 | 0.66 | HSD17B10 (0.45) | ADRA2AADRA2BADRA2CADRA1AGAA | |
| SCHEMBL9054600 | 0.65 | ALDH1A1 (0.60) | ADRA2AADRA2BADRA2CADRA1ALMNA | |
| SCHEMBL15665415 | 0.65 | NISCH (0.40) | NISCHADRA2AADRA2BADRA2CADRA1A |
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-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | claimed |