Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7748902 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL7575353 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL20969511 | 0.80 | TDP1 (0.39) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL7576589 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL7583214 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL6870669 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TDP1TSHRMAPT | |
| SCHEMBL1234256 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TDP1MAPTGAA | |
| SCHEMBL27821682 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CYP3A4 | |
| SCHEMBL335196 | 0.71 | CASP1 (0.38) | ALDH1A1TDP1MAPT | |
| SCHEMBL1580236 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |