Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1070452 | 1.00 | TP53 (0.50) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL6394389 | 0.88 | CYP2D6 (0.37) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL11132347 | 0.81 | ESR1 (0.38) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL6488934 | 0.79 | RORC (0.35) | RORCCNR1CNR2 | |
| SCHEMBL4651373 | 0.79 | RORC (0.35) | RORCCNR1CNR2 | |
| Ethylene Glycol SCHEMBL28430213 | 0.78 | ESR1 (0.36) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| Butane SCHEMBL27448856 | 0.76 | TYR (0.39) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL28428085 | 0.76 | TYR (0.37) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL10399652 | 0.75 | CYP2C9 (0.53) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL25311714 | 0.75 | PTGS2 (0.43) | CYP2C9ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023201037-A2 | METHODS FOR INDUCING CRYSTALLIZATION IN CRYSTALLIZABLE POLYMERS, AND ARTICLES THEREFROM | BELLARE ANUJ (US) | 2023-10-19 | — | — | WO | disclosed |