Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL18241096 | 0.89 | PKM (0.51) | PKML3MBTL1NPC1ALDH1A1CYP1A2 | |
| SCHEMBL13365066 | 0.77 | PKM (0.54) | PKML3MBTL1NPC1ALDH1A1CYP1A2 | |
| SCHEMBL2362504 | 0.74 | PKM (0.48) | PKML3MBTL1NPC1ALDH1A1CYP1A2 | |
| SCHEMBL27415472 | 0.73 | PKM (0.45) | PKML3MBTL1ALDH1A1CYP1A2MAPT | |
| SCHEMBL27842915 | 0.72 | BACE1 (0.48) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL15350128 | 0.71 | PKM (0.43) | PKML3MBTL1NPC1ALDH1A1MAPT | |
| SCHEMBL27415470 | 0.70 | MAPK14 (0.44) | PKML3MBTL1NPC1ALDH1A1RAB9A | |
| SCHEMBL6215292 | 0.70 | CYP3A4 (0.35) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL27682646 | 0.70 | SMN1; SMN2 (0.43) | L3MBTL1NPC1ALDH1A1CYP1A2RAB9A | |
| SCHEMBL15350848 | 0.69 | PKM (0.41) | PKMNPC1ALDH1A1CYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102317263-B | Halogen substituted compounds as pesticides | BAYER IP GMBH | 2015-04-22 | — | — | CN | disclosed |