Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL4439919 | 0.87 | KDM4E (0.36) | TSHRHTTCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4570114 | 0.85 | ALDH1A1 (0.33) | CYP2C9CYP2C19ALDH1A1CYP3A4NPSR1 | |
| SCHEMBL4555941 | 0.85 | ALOX5AP (0.31) | ALDH1A1LMNA | |
| SCHEMBL3748475 | 0.79 | ALDH1A1 (0.33) | CYP2C9CYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL1222406 | 0.79 | MAPT (0.31) | HTTMEN1KMT2AALDH1A1GAA | |
| SCHEMBL4553971 | 0.79 | S1PR1 (0.33) | CYP1A2CYP2D6S1PR1KDM4ENR3C1 | |
| SCHEMBL1028039 | 0.75 | ALDH1A1 (0.33) | CYP2C9CYP2C19ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL1025863 | 0.75 | — | — | |
| SCHEMBL1223688 | 0.75 | — | — | |
| SCHEMBL4555331 | 0.74 | KDM4E (0.35) | CYP2C9CYP2C19CYP1A2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2120939-A2 | SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES | E. I. Du Pont de Nemours and Company (US) | 2009-11-25 | — | — | EP | claimed |
| WO-2008100426-A2 | SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-08-21 | — | — | WO | claimed |