Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | PLA2G4B | P0C869 | 6/20 | 0.53 |
| ▸ | RARB | P10826 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7985774 | 0.89 | TSHR (0.55) | TSHRTP53PLA2G4BRARBL3MBTL1 | |
| SCHEMBL7985087 | 0.87 | PARP10 (0.54) | PLA2G4BL3MBTL1RAB9AALDH1A1HPGD | |
| SCHEMBL7984991 | 0.84 | KAT6A (0.54) | PLA2G4BMEN1KMT2A | |
| SCHEMBL7983730 | 0.82 | CES2 (0.50) | CA1CA2 | |
| SCHEMBL7984806 | 0.80 | PARP10 (0.50) | PLA2G4BL3MBTL1RAB9AALDH1A1HPGD | |
| SCHEMBL7984994 | 0.78 | KMT2A (0.53) | TP53RAB9AALDH1A1HPGDKMT2A | |
| SCHEMBL7990725 | 0.76 | ALDH1A1 (0.45) | GAARAB9AMEN1ALDH1A1HPGD | |
| SCHEMBL21138607 | 0.76 | TP53 (0.69) | TSHRTP53PLA2G4BRARBGAA | |
| SCHEMBL8769969 | 0.76 | TP53 (0.68) | TSHRTP53PLA2G4BRARBL3MBTL1 | |
| SCHEMBL7990900 | 0.76 | PARP10 (0.56) | PLA2G4BL3MBTL1RAB9AALDH1A1HPGD |
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 |