Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9951484 | 0.83 | KIF11 (0.41) | KIF11TRPV1HRH3NPC1RAB9A | |
| SCHEMBL9951961 | 0.77 | KIF11 (0.44) | KIF11CYP19A1TRPV1GCGR | |
| SCHEMBL9960908 | 0.77 | KIF11 (0.55) | KIF11CYP3A4CYP19A1HRH3NPC1 | |
| SCHEMBL15525796 | 0.72 | KIF11 (0.34) | KIF11CYP19A1HRH3RAB9AMAPT | |
| SCHEMBL21745752 | 0.70 | GAA (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9952148 | 0.70 | KIF11 (0.43) | KIF11CYP19A1GAANPC1RAB9A | |
| SCHEMBL15525216 | 0.69 | KIF11 (0.32) | KIF11MAPTALDH1A1 | |
| SCHEMBL9951749 | 0.68 | CYP19A1 (0.44) | CYP3A4KCNH2CYP19A1GCGR | |
| SCHEMBL84373 | 0.67 | GAA (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4691583 | 0.67 | KIF11 (0.38) | KIF11CYP3A4CYP19A1TRPV1NPC1 |
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-2012087630-A1 | PYRIDINE AND PYRIMIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-06-28 | — | — | WO | disclosed |