Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TKT | P29401 | 8/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6506543 | 0.85 | TSHR (0.39) | TSHRCYP3A4PIK3CAALDH1A1HTT | |
| SCHEMBL457335 | 0.84 | TSHR (0.33) | TSHRCYP3A4PIK3CAALDH1A1HTT | |
| SCHEMBL4360933 | 0.83 | CYP3A4 (0.37) | TSHRCYP3A4PIK3CAALDH1A1TKT | |
| SCHEMBL28124475 | 0.82 | CYP3A4 (0.36) | TSHRCYP3A4PIK3CAALDH1A1TKT | |
| SCHEMBL6943516 | 0.79 | TDP1 (0.30) | — | |
| SCHEMBL11112622 | 0.78 | NOS2 (0.40) | TSHRCYP3A4PIK3CAALDH1A1 | |
| Sulfuric Acid SCHEMBL9331833 | 0.77 | ALDH1A1 (0.35) | TSHRCYP3A4PIK3CAALDH1A1HTT | |
| SCHEMBL11866227 | 0.76 | CYP2D6 (0.36) | TSHRALDH1A1HTT | |
| Sulfuric Acid SCHEMBL9332879 | 0.76 | ALDH1A1 (0.34) | TSHRCYP3A4PIK3CAALDH1A1HTT | |
| SCHEMBL754268 | 0.75 | TDP1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4500715-A | CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-02-19 | — | — | US | disclosed |
| US-4268438-A | Cationic 1,3,4-thiadiazole dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1981-05-19 | — | — | US | disclosed |