Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.62 |
| ▸ | RAB9A | P51151 | 9/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | PKM | P14618 | 3/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.62 |
| ▸ | RELA | Q04206 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10647023 | 0.91 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL30259035 | 0.87 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL29868811 | 0.78 | HRH3 (0.57) | HRH3MAPTMEN1KMT2APTGS2 | |
| SCHEMBL34464670 | 0.78 | HRH3 (0.54) | NPC1RAB9AHRH3MEN1KMT2A | |
| SCHEMBL3317159 | 0.78 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL29370201 | 0.76 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL31000291 | 0.76 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL7980862 | 0.75 | PTGS1 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL29370138 | 0.73 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL20550714 | 0.73 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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-2012045680-A2 | INSECTICIDAL AND FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2012-04-12 | — | — | WO | disclosed |