Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL29793316 | 0.89 | ALDH1A1 (0.39) | HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL29413922 | 0.89 | ALDH1A1 (0.39) | HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL39085 | 0.89 | ALDH1A1 (0.39) | HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL25723566 | 0.85 | GAA (0.38) | HTR2CHTR2AHTR2BGAA | |
| SCHEMBL5201344 | 0.81 | ALDH1A1 (0.34) | HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL10135346 | 0.80 | GAA (0.56) | HTR2BGAAALDH1A1 | |
| SCHEMBL19305299 | 0.80 | FFAR1 (0.38) | GAA | |
| SCHEMBL25522686 | 0.80 | ALDH1A1 (0.33) | GAAALDH1A1 | |
| SCHEMBL2612422 | 0.80 | GABBR2 (0.38) | ALDH1A1 | |
| SCHEMBL2612423 | 0.79 | GAA (0.47) | GAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874853-B1 | POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT | CIBA HOLDING INC (CH) | 2009-04-15 | — | — | EP | disclosed |