Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 5/20 | 0.39 |
| ▸ | CNR1 | P21554 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28039384 | 0.98 | NPC1 (0.40) | CETPEPHX1CNR2CNR1NPC1 | |
| SCHEMBL28039343 | 0.93 | CYP2A6 (0.40) | CETPEPHX1NPC1LMNARAB9A | |
| SCHEMBL10685133 | 0.82 | CNR2 (0.55) | CNR2CNR1 | |
| SCHEMBL10583140 | 0.82 | CNR2 (0.55) | CNR2CNR1 | |
| SCHEMBL28039349 | 0.81 | NPC1 (0.39) | CETPEPHX1CNR2CNR1NPC1 | |
| SCHEMBL10688950 | 0.80 | CNR2 (0.52) | CNR2CNR1 | |
| SCHEMBL11404984 | 0.77 | CNR2 (0.53) | CNR2CNR1 | |
| SCHEMBL28039398 | 0.75 | ESR1 (0.44) | CETPEPHX1NPC1LMNARAB9A | |
| SCHEMBL28039080 | 0.74 | ESR1 (0.46) | CETPEPHX1NPC1LMNARAB9A | |
| SCHEMBL28039055 | 0.72 | KDM4E (0.39) | CNR2CNR1NPC1LMNARAB9A |
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-104955332-A | Method for controlling arthropod pest | SUMITOMO CHEMICAL CO | 2015-09-30 | — | — | CN | disclosed |