Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.34 |
| ▸ | AOC1 | P19801 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | S100B | P04271 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31431058 | 0.98 | CYP3A4 (0.41) | CYP3A4TSHRPIK3CAALDH1A1LOXL2 | |
| SCHEMBL13743153 | 0.83 | AOC1 (0.33) | CYP3A4TSHRPIK3CAALDH1A1LOXL2 | |
| SCHEMBL6400991 | 0.80 | LOXL2 (0.36) | LOXL2RPS6KA1PNMT | |
| SCHEMBL4621279 | 0.80 | LOXL2 (0.38) | LOXL2RPS6KA1PNMT | |
| SCHEMBL3572188 | 0.79 | CYP3A4 (0.42) | CYP3A4TSHRPIK3CAALDH1A1AOC1 | |
| SCHEMBL29467968 | 0.79 | LOXL2 (0.39) | ALDH1A1LOXL2AOC1AOC3PNMT | |
| SCHEMBL13527773 | 0.75 | LOXL2 (0.48) | LOXL2AOC1AOC3PNMT | |
| SCHEMBL27674631 | 0.74 | LOXL2 (0.34) | LOXL2AOC1AOC3PNMT | |
| SCHEMBL671337 | 0.73 | LOXL2 (0.39) | LOXL2AOC1AOC3PNMT | |
| SCHEMBL5929976 | 0.73 | CYP3A4 (0.59) | CYP3A4TSHRPIK3CAALDH1A1LOXL2 |
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-2025049326-A1 | TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 | BIOCRYST PHARMACEUTICALS, INC. (US) | 2025-03-06 | — | — | WO | disclosed |