Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL8145766 | 0.75 | CYP1A2 (0.67) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL29025896 | 0.71 | CYP1A2 (0.61) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL14123121 | 0.71 | CYP1A2 (0.68) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL11648550 | 0.71 | CYP1A2 (0.50) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL11650981 | 0.71 | CYP1A2 (0.50) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL10077803 | 0.70 | CYP1A2 (0.48) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL11649862 | 0.68 | HSD17B10 (0.47) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL2150911 | 0.68 | CYP1A2 (0.57) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL15177700 | 0.67 | HSD17B10 (0.55) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 | |
| SCHEMBL11645029 | 0.67 | HSD17B10 (0.55) | CYP1A2CYP3A4HSD17B10BRD4BRPF1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2402331-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-2402009-A1 | Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-2366704-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-2364984-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2008106139-A1 | INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2008106058-A2 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2007022459-A2 | PROCESSES AND INTERMEDIATES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-02-22 | — | — | WO | disclosed |