Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.38 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7939173 | 0.80 | HRH3 (0.58) | HRH3ALDH1A1CYP3A4GABRA1TSHR | |
| Bromide SCHEMBL7939566 | 0.79 | HRH3 (0.57) | HRH3ALDH1A1CYP3A4GABRA1TSHR | |
| SCHEMBL7704747 | 0.77 | CACNA1H (0.40) | DAOCYP11B2CYP11B1CACNA1H | |
| SCHEMBL13542855 | 0.72 | CYP3A4 (0.47) | DAOCYP11B2CYP11B1ALDH1A1CYP3A4 | |
| SCHEMBL28578973 | 0.72 | TRPV4 (0.45) | DAOCYP11B2CYP11B1XDHCACNA1H | |
| SCHEMBL7743898 | 0.70 | CPB2 (0.62) | DAO | |
| SCHEMBL7743300 | 0.70 | CPB2 (0.48) | DAOCYP11B2CYP11B1CACNA1H | |
| SCHEMBL5357828 | 0.70 | DAO (0.43) | DAOCYP11B2CYP11B1ALDH1A1NFKB1 | |
| Lithium Ion SCHEMBL7743896 | 0.67 | CPB2 (0.50) | DAOCYP11B2CYP11B1CACNA1H | |
| SCHEMBL5360300 | 0.67 | GAA (0.48) | DAOALDH1A1CYP3A4TSHRCACNA1H |
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 |
|---|---|---|---|---|---|---|---|
| US-6358985-B1 | ANTICANCER AGENT | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |
| EP-1091736-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-10-24 | — | — | EP | disclosed |
| EP-1091736-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001382-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |