Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL16493952 | 0.98 | ABCC4 (0.48) | ABCC4MAPTEPHX2HRH4HRH3 | |
| SCHEMBL731156 | 0.96 | ABCC4 (0.46) | ABCC4MAPTEPHX2HRH4HRH3 | |
| SCHEMBL28289954 | 0.82 | ACHE (0.49) | EPHX2HRH4HRH3ACHEALDH1A1 | |
| SCHEMBL13331638 | 0.82 | ACHE (0.58) | EPHX2HRH4HRH3ACHEALDH1A1 | |
| SCHEMBL4680857 | 0.81 | CASP1 (0.45) | ABCC4MAPTCYP3A4 | |
| SCHEMBL11339356 | 0.81 | ACHE (0.51) | EPHX2ACHEALDH1A1LMNA | |
| SCHEMBL22588787 | 0.79 | ACHE (0.59) | EPHX2HRH4HRH3ACHE | |
| SCHEMBL11325903 | 0.78 | ACHE (0.62) | EPHX2ACHE | |
| SCHEMBL8220165 | 0.78 | GAA (0.47) | EPHX2HRH4HRH3ACHEALDH1A1 | |
| SCHEMBL8849277 | 0.78 | ACHE (0.61) | EPHX2ACHELMNA |
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-1913016-B1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-01-16 | — | — | EP | disclosed |
| EP-2178902-B1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | ANGELETTI P IST RICHERCHE BIO (IT) | 2012-11-28 | — | — | EP | disclosed |
| WO-2010036551-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2006119061-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2006-11-09 | — | — | WO | disclosed |