Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | ADH5 | P11766 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7368488 | 0.85 | ALDH1A1 (0.35) | XDHHTTNPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7374384 | 0.79 | RXRA (0.45) | RXRARXRBRARBMAP4K4ADH5 | |
| SCHEMBL7370563 | 0.77 | SRD5A2 (0.49) | RXRARXRBRARBMAP4K4ADH5 | |
| SCHEMBL7373530 | 0.77 | LMNA (0.43) | RXRARXRBRARBMAP4K4ADH5 | |
| SCHEMBL7371208 | 0.75 | RXRA (0.44) | RXRARXRBRARBMAP4K4ERN1 | |
| SCHEMBL8657107 | 0.71 | ADH5 (0.49) | KDM5ARXRARXRBRARBADH5 | |
| SCHEMBL16749653 | 0.70 | RXRA (0.59) | RXRARXRBRARBMAP4K4ADH5 | |
| SCHEMBL4638803 | 0.70 | KDM5A (0.67) | KDM5AMAPTRAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL27351751 | 0.70 | KDM5A (0.67) | KDM5AJAK2MAPTHTTRAB9A | |
| SCHEMBL22824136 | 0.69 | RXRA (0.57) | RXRARXRBRARBMAP4K4ADH5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810858-A4 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | DU PONT PHARM CO (US) | 2000-11-15 | — | — | EP | disclosed |
| EP-0810858-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996020689-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-11 | — | — | WO | disclosed |
| WO-1994021650-A1 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-29 | — | — | WO | disclosed |