Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL57086 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| SCHEMBL10698381 | 0.74 | AKR1C3 (0.47) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| SCHEMBL28362880 | 0.73 | AKR1C1 (0.44) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| SCHEMBL9913424 | 0.70 | ALDH1A1 (0.38) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| SCHEMBL1364080 | 0.70 | ALDH1A1 (0.38) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| SCHEMBL1364082 | 0.70 | ALDH1A1 (0.38) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| SCHEMBL2918522 | 0.69 | AKR1C3 (0.55) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| SCHEMBL29894009 | 0.69 | AKR1C3 (0.42) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| Phosphonic Acid SCHEMBL8162158 | 0.69 | ALDH1A1 (0.54) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| Styrene SCHEMBL17714352 | 0.68 | ALDH1A1 (0.56) | ALDH1A1TSHRAKR1C3MEN1KMT2A |
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-1997046516-A1 | CATALYTIC ASYMMETRIC AMINOHYDROXYLATION OF OLEFINS WITH CARBAMATES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1997-12-11 | — | — | WO | disclosed |