Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3822361 | 0.87 | THRB (0.32) | THRBTSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL14355619 | 0.86 | THRB (0.33) | THRBTSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL10593209 | 0.83 | THRB (0.30) | THRB | |
| SCHEMBL145422 | 0.82 | THRB (0.53) | THRBTSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL6724772 | 0.81 | — | — | |
| SCHEMBL826515 | 0.80 | ALDH1A1 (0.48) | TSHRCHRM5CHRM1CHRM3ALDH1A1 | |
| SCHEMBL10757461 | 0.79 | — | — | |
| SCHEMBL154677 | 0.77 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL22883601 | 0.76 | THRB (0.34) | THRBTSHR | |
| SCHEMBL6165431 | 0.76 | — | — |
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-4948898-A | MICROBIOCIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1990-08-14 | — | — | US | disclosed |
| US-4652651-A | Process for the manufacture of 1-sulpho-2-oxoazetidine carboxylic acid intermediates via catalytic ester cleavage | HOFFMANN-LA ROCHE INC. (US) | 1987-03-24 | — | — | US | disclosed |