Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | SI | P14410 | 3/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | COASY | Q13057 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL11398553 | 0.80 | NPC1 (0.44) | RAB9ANPC1MGAMGAASI | |
| SCHEMBL7260713 | 0.79 | NPC1 (0.46) | RAB9ANPC1MGAMGAASI | |
| SCHEMBL629041 | 0.78 | NPC1 (0.41) | RAB9ANPC1GABRA1GABRB2MGAM | |
| SCHEMBL1128920 | 0.76 | NPC1 (0.46) | RAB9ANPC1GABRA1GABRB2MGAM | |
| SCHEMBL9307952 | 0.75 | NPC1 (0.46) | RAB9ANPC1MGAMGAASI | |
| SCHEMBL11205382 | 0.74 | NPC1 (0.39) | RAB9ANPC1MGAMGAASI | |
| SCHEMBL15111647 | 0.73 | GAA (0.42) | RAB9ANPC1GAAPARP1KDM4E | |
| SCHEMBL3109602 | 0.73 | MGAM (0.60) | RAB9ANPC1MGAMGAASI | |
| SCHEMBL8956421 | 0.73 | NPC1 (0.50) | RAB9ANPC1MGAMGAASI | |
| SCHEMBL30166984 | 0.73 | MGAM (0.60) | RAB9ANPC1MGAMGAASI |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2282762-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | Intermune, Inc. (US) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009142842-A9 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |