Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL38006 | 0.95 | — | — | |
| Boric Acid SCHEMBL25281446 | 0.84 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL16671676 | 0.78 | — | — | |
| SCHEMBL102085 | 0.78 | — | — | |
| SCHEMBL4318488 | 0.78 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL9246782 | 0.78 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL18407516 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL3765307 | 0.72 | — | — | |
| SCHEMBL13674378 | 0.72 | — | — | |
| SCHEMBL12760976 | 0.72 | ALDH1A1 (0.41) | ALDH1A1THRB |
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-111333656-B | Process for preparing BTK inhibitors | 豪夫迈·罗氏有限公司 | 2023-03-14 | — | — | CN | disclosed |