Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.49 |
| ▸ | RXRA | P19793 | 2/20 | 0.42 |
| ▸ | RXRB | P28702 | 2/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | ADH5 | P11766 | 3/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7374384 | 0.85 | RXRA (0.45) | RXRARXRBADH5RARBMAP4K4 | |
| SCHEMBL25125811 | 0.83 | SRD5A2 (0.55) | SRD5A2RXRARXRBTNKS2ADH5 | |
| SCHEMBL7376017 | 0.83 | NPSR1 (0.40) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL7373530 | 0.82 | LMNA (0.43) | RXRARXRBADH5RARBMAP4K4 | |
| SCHEMBL7371208 | 0.80 | RXRA (0.44) | RXRARXRBRARBMAP4K4ALDH1A1 | |
| SCHEMBL7371306 | 0.77 | KDM5A (0.43) | RXRARXRBADH5RARBMAP4K4 | |
| SCHEMBL16749653 | 0.75 | RXRA (0.59) | SRD5A2RXRARXRBADH5TSHR | |
| SCHEMBL22824136 | 0.73 | RXRA (0.57) | SRD5A2RXRARXRBADH5TSHR | |
| SCHEMBL3741905 | 0.73 | SRD5A2 (0.64) | SRD5A2RXRARXRBTNKS2ADH5 | |
| SCHEMBL6253145 | 0.72 | SRD5A2 (0.72) | SRD5A2RXRARXRBTNKS2ADH5 |
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-1994021650-A1 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-29 | — | — | WO | disclosed |