Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28913414 | 0.99 | PDE4B (0.40) | PDE4BCYP17A1HPGDDHFRTLR8 | |
| SCHEMBL28560025 | 0.96 | CYP17A1 (0.41) | PDE4BCYP17A1HPGDDHFRTLR8 | |
| SCHEMBL28559977 | 0.92 | CYP17A1 (0.39) | PDE4BCYP17A1HPGDDHFRTLR8 | |
| SCHEMBL28569800 | 0.87 | CYP17A1 (0.36) | PDE4BCYP17A1HPGDDHFRTSHR | |
| SCHEMBL28577363 | 0.83 | TSHR (0.40) | TLR8TSHR | |
| SCHEMBL28563239 | 0.82 | TLR8 (0.40) | PDE4BCYP17A1DHFRTLR8TSHR | |
| SCHEMBL28569780 | 0.82 | TSHR (0.39) | TLR8TSHR | |
| SCHEMBL28569887 | 0.81 | DHFR (0.40) | PDE4BCYP17A1DHFRTLR8TSHR | |
| SCHEMBL28564369 | 0.79 | TSHR (0.40) | CYP17A1TLR8TSHRHTR1AHTR2A | |
| SCHEMBL28566839 | 0.79 | HTR1A (0.38) | PDE4BCYP17A1DHFRTLR8TSHR |
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-112724596-A | Curable composition and cured product | 盛势达技研株式会社 | 2021-04-30 | — | — | CN | disclosed |