Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | BLM | P54132 | 3/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.37 |
| ▸ | PGR | P06401 | 3/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2549762 | 0.71 | ALDH1A1 (0.53) | ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2 | |
| SCHEMBL2618326 | 0.71 | ALDH1A1 (0.53) | ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2 | |
| SCHEMBL2549760 | 0.71 | ALDH1A1 (0.53) | ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2 | |
| SCHEMBL4232967 | 0.68 | ALDH1A1 (0.46) | ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2 | |
| SCHEMBL267262 | 0.68 | ALDH1A1 (0.46) | ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2 | |
| SCHEMBL260976 | 0.68 | ALDH1A1 (0.46) | ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2 | |
| SCHEMBL12911139 | 0.66 | ALDH1A1 (0.44) | ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2 | |
| SCHEMBL13260323 | 0.63 | NR3C1 (0.39) | ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2 | |
| SCHEMBL7789528 | 0.62 | ALDH1A1 (0.67) | ALDH1A1CYP3A4LMNACYP19A1NR3C1 | |
| SCHEMBL9123435 | 0.62 | ALDH1A1 (0.67) | ALDH1A1CYP3A4LMNACYP19A1NR3C1 |
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-7166754-B2 | Methods and compositions for enantioselective oxidation reactions | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2007-01-23 | — | — | US | disclosed |
| US-7166754-B2 | Methods and compositions for enantioselective oxidation reactions | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2007-01-23 | — | — | US | disclosed |