Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11660318 | 0.77 | ALDH1A1 (0.40) | ALDH1A1LMNAL3MBTL1HPGD | |
| Cyclohexane SCHEMBL13506634 | 0.77 | ALDH1A1 (0.40) | ALDH1A1LMNAL3MBTL1HPGD | |
| SCHEMBL4526003 | 0.77 | HRH3 (0.34) | NR1H2NR1H3ALDH1A1LMNAHRH4 | |
| SCHEMBL4599389 | 0.73 | NR1H2 (0.36) | NR1H2NR1H3ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL19071784 | 0.72 | CHRM1 (0.43) | ALDH1A1LMNAL3MBTL1HPGD | |
| SCHEMBL731467 | 0.71 | EPHX1 (0.34) | EPHX1 | |
| SCHEMBL10527009 | 0.70 | HDAC3 (0.33) | ALDH1A1 | |
| SCHEMBL731466 | 0.70 | CYP2C19 (0.34) | ALDH1A1LMNATSHR | |
| SCHEMBL10527013 | 0.69 | NPSR1 (0.38) | ALDH1A1L3MBTL1 | |
| SCHEMBL19771835 | 0.69 | HRH4 (0.38) | ALDH1A1LMNAHRH4HRH3L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910404-A1 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007015855-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |