Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6316440 | 0.87 | NPSR1 (0.55) | NPSR1CES2CES1LMNAHPGD | |
| SCHEMBL7973249 | 0.83 | ALDH1A1 (0.47) | LMNAADRA2BKCNH2GAAALDH1A1 | |
| SCHEMBL7973489 | 0.83 | KDM4E (0.41) | NPSR1CES2CES1LMNAHSD11B1 | |
| SCHEMBL7973224 | 0.83 | HTT (0.42) | CES2CES1HSD11B1ALDH1A1 | |
| SCHEMBL7987813 | 0.83 | HTR7 (0.45) | CES2CES1HPGDHSD11B1GAA | |
| SCHEMBL7989108 | 0.82 | L3MBTL1 (0.48) | LMNAHPGDPTGS2GAAALDH1A1 | |
| SCHEMBL7983792 | 0.81 | CES2 (0.46) | NPSR1CES2CES1LMNAHPGD | |
| SCHEMBL7991787 | 0.81 | ALDH1A1 (0.45) | NPSR1HPGDGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL7983580 | 0.80 | HDAC1 (0.43) | NPSR1LMNAPKMALDH1A1SMN1; SMN2 | |
| SCHEMBL7983696 | 0.80 | CES2 (0.46) | NPSR1CES2CES1HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |