Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28039349 | 0.95 | NPC1 (0.39) | ESR1ESR2CYP2A6CYP1A2NPC1 | |
| SCHEMBL28039380 | 0.90 | CYP2A6 (0.41) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL28039080 | 0.89 | ESR1 (0.46) | ESR1ESR2CYP2A6CYP1A2NPC1 | |
| SCHEMBL28039047 | 0.82 | ESR1 (0.41) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL28039343 | 0.81 | CYP2A6 (0.40) | ESR1ESR2CYP2A6CYP1A2NPC1 | |
| SCHEMBL28039368 | 0.80 | CYP2A6 (0.39) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL28039390 | 0.79 | CYP2A6 (0.38) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL28039059 | 0.78 | ESR1 (0.43) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL28039384 | 0.77 | NPC1 (0.40) | CYP2A6CYP1A2NPC1LMNARAB9A | |
| SCHEMBL28039078 | 0.76 | CYP2A6 (0.41) | ESR1ESR2CYP2A6CYP1A2PTPN1 |
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 |