Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.54 |
| ▸ | BRS3 | P32247 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8311538 | 0.99 | KIF11 (0.52) | KIF11BRS3CYP19A1DGAT1SOAT1 | |
| SCHEMBL8097324 | 0.89 | BRS3 (0.48) | KIF11BRS3DGAT1SOAT1KCNH2 | |
| Hydrochloric Acid SCHEMBL8306295 | 0.88 | BRS3 (0.47) | KIF11BRS3DGAT1SOAT1KCNH2 | |
| SCHEMBL8106523 | 0.85 | BRS3 (0.54) | BRS3CYP19A1HRH3MAOBKDM1A | |
| SCHEMBL7919393 | 0.85 | BRS3 (0.62) | BRS3CYP19A1HRH3 | |
| SCHEMBL8105207 | 0.84 | BRS3 (0.53) | BRS3CYP19A1HRH3MAOBDAO | |
| Hydrochloric Acid SCHEMBL8521500 | 0.84 | BRS3 (0.61) | BRS3CYP19A1HRH3 | |
| Trifluoroacetic Acid SCHEMBL8309330 | 0.83 | BRS3 (0.61) | BRS3 | |
| SCHEMBL7919370 | 0.83 | BRS3 (0.58) | BRS3HRH3 | |
| Hydrochloric Acid SCHEMBL8310488 | 0.82 | BRS3 (0.57) | BRS3HRH3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0986302-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 2000-03-22 | — | — | EP | claimed |
| EP-0891333-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1999-01-20 | — | — | EP | claimed |
| WO-1998054966-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1998-12-10 | — | — | WO | claimed |
| WO-1997036875-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-10-09 | — | — | WO | claimed |
| EP-0986302-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998054966-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1998-12-10 | — | — | WO | disclosed |