Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL9406313 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL9406308 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL2734448 | 0.93 | — | — | |
| SCHEMBL2232344 | 0.93 | ALDH1A1 (0.54) | ALDH1A1HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL9648032 | 0.92 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL9648009 | 0.92 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL9648021 | 0.92 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL9648287 | 0.90 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL9442462 | 0.90 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL9442473 | 0.90 | ALDH1A1 (0.41) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |