Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1415320 | 0.90 | ESR1 (0.38) | ESR1PDCD1ESR2CD274CYP3A4 | |
| SCHEMBL6479076 | 0.89 | PTGS2 (0.54) | PTGS2CHRNB2CHRNA4CYP17A1CYP3A4 | |
| SCHEMBL8545218 | 0.87 | ADRB2 (0.50) | AKT1SLC6A2SLC6A4SLC6A3TP53 | |
| SCHEMBL28790390 | 0.87 | CYP17A1 (0.44) | CYP17A1 | |
| SCHEMBL5695686 | 0.81 | TYR (0.46) | CYP2D6NPC1TP53RAB9ANPSR1 | |
| SCHEMBL31489555 | 0.79 | ACHE (0.47) | — | |
| SCHEMBL4434585 | 0.79 | ACHE (0.47) | — | |
| SCHEMBL810756 | 0.79 | CYP2A6 (0.47) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL624797 | 0.77 | ADRB2 (0.56) | AKT1SLC6A2SLC6A4SLC6A3TP53 | |
| SCHEMBL677922 | 0.77 | ESR1 (0.62) | ESR1PDCD1ESR2CD274CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0311387-B1 | AROMATIC AMINE RESINS, THEIR PRODUCTION PROCESS AND THERMOSETTING RESIN COMPOSITIONS MAKING USE OF THE SAME | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-08-11 | — | — | EP | disclosed |