Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 4/20 | 0.45 |
| ▸ | RXRB | P28702 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | RARG | P13631 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | ADH5 | P11766 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL7373530 | 0.85 | LMNA (0.43) | RXRARXRBKDM4ELMNAHSD17B10 | |
| SCHEMBL7370563 | 0.85 | SRD5A2 (0.49) | RXRARXRBKDM4ERARBALDH1A1 | |
| SCHEMBL7371062 | 0.83 | BACE1 (0.52) | KDM4EHSD17B10ALDH1A1EGFR | |
| SCHEMBL7371208 | 0.82 | RXRA (0.44) | RXRARXRBLMNARARBALDH1A1 | |
| SCHEMBL7371306 | 0.79 | KDM5A (0.43) | RXRARXRBRARBALDH1A1SMN1; SMN2 | |
| SCHEMBL16749653 | 0.77 | RXRA (0.59) | RXRARXRBRARBALDH1A1SMN1; SMN2 | |
| SCHEMBL29133892 | 0.77 | TP53 (0.57) | RXRARXRBKDM4ELMNAHSD17B10 | |
| SCHEMBL22824136 | 0.76 | RXRA (0.57) | RXRARXRBRARBALDH1A1SMN1; SMN2 | |
| SCHEMBL2951077 | 0.74 | RXRA (0.55) | RXRARXRBRARBALDH1A1SMN1; SMN2 | |
| SCHEMBL4603074 | 0.71 | GRIK1 (0.62) | RXRARXRBRARBALDH1A1SMN1; SMN2 |
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 |