Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 11/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 3/20 | 0.31 |
| ▸ | MAOB | P27338 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11167054 | 0.77 | — | — | |
| SCHEMBL14285754 | 0.75 | — | — | |
| SCHEMBL11513345 | 0.73 | NISCH (0.47) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL3281539 | 0.72 | — | — | |
| SCHEMBL9505880 | 0.71 | APOBEC3A (0.39) | ALDH1A1 | |
| SCHEMBL7094563 | 0.67 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL10144891 | 0.65 | — | — | |
| SCHEMBL127079 | 0.65 | — | — | |
| SCHEMBL3742115 | 0.63 | NISCH (0.56) | NISCH | |
| Iodide SCHEMBL3445988 | 0.63 | — | — |
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-4258181-A | BACTERICIDES, AMTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-03-24 | — | — | US | claimed |
| US-4235996-A | BACTERICIDES, ANTITUMOR, ANTICANCER | AMERICAN CYANAMID COMPANY (US) | 1980-11-25 | — | — | US | claimed |