Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1507790 | 0.78 | CYP19A1 (0.71) | CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL12770872 | 0.74 | CYP2D6 (0.54) | ALDH1A1OPRD1CYP17A1KDM4EMAPT | |
| SCHEMBL7009772 | 0.74 | CYP2D6 (0.54) | ALDH1A1OPRD1CYP17A1KDM4EMAPT | |
| SCHEMBL12770874 | 0.74 | CYP2D6 (0.54) | ALDH1A1OPRD1CYP17A1KDM4EMAPT | |
| SCHEMBL13962576 | 0.73 | CYP2A6 (0.48) | CYP19A1CYP2A6ALDH1A1TSHRCYP3A4 | |
| SCHEMBL7799578 | 0.72 | CYP2A6 (0.52) | CYP19A1CYP2A6ALDH1A1TSHRCYP3A4 | |
| SCHEMBL13557870 | 0.72 | CYP2A6 (0.52) | CYP19A1CYP2A6ALDH1A1TSHRCYP3A4 | |
| SCHEMBL87339 | 0.72 | CYP2A6 (0.52) | CYP19A1CYP2A6ALDH1A1TSHRCYP3A4 | |
| SCHEMBL6224919 | 0.72 | SLC6A3 (0.50) | CYP19A1CYP2A6ALDH1A1OPRD1HSD11B1 | |
| SCHEMBL20157572 | 0.70 | TDP1 (0.45) | HSD11B1CREBBP |
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-20160196412-A1 | DESIGN OF MOLECULES | RECURSION PHARMACEUTICALS, INC. | 2016-07-07 | — | — | US | disclosed |
| US-20120265514-A1 | DESIGN OF MOLECULES | UNIVERSITY OF DUNDEE (GB) | 2012-10-18 | — | — | US | disclosed |