Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL6748666 | 1.00 | TSHR (0.56) | TSHRCASP1ALDH1A1 | |
| Cyclohexane SCHEMBL28402579 | 0.97 | TSHR (0.60) | TSHRCASP1ALDH1A1 | |
| Cyclohexane SCHEMBL27772263 | 0.97 | TSHR (0.60) | TSHRCASP1ALDH1A1 | |
| Cyclohexane SCHEMBL29019615 | 0.97 | TSHR (0.60) | TSHRCASP1ALDH1A1 | |
| Cyclohexane SCHEMBL11279837 | 0.91 | TSHR (0.53) | TSHRCASP1ALDH1A1 | |
| Methane SCHEMBL825425 | 0.90 | TSHR (0.69) | TSHRCASP1 | |
| Methane SCHEMBL131438 | 0.90 | TSHR (0.69) | TSHRCASP1 | |
| Methane SCHEMBL2903398 | 0.90 | TSHR (0.69) | TSHRCASP1 | |
| Methane SCHEMBL29199821 | 0.90 | TSHR (0.69) | TSHRCASP1 | |
| Cyclohexane SCHEMBL4883676 | 0.87 | TSHR (0.31) | TSHRCASP1 |
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-115551950-A | Process for reducing hydrogen sulfide emissions during the production of asphalt compositions | 巴斯夫欧洲公司 | 2022-12-30 | — | — | CN | disclosed |