Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 6/20 | 0.66 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | QPCT | Q16769 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL172475 | 0.88 | IMPDH2 (0.55) | IMPDH2IMPDH1LMNAPTGER1MEN1 | |
| SCHEMBL14065071 | 0.84 | IMPDH2 (0.45) | IMPDH2IMPDH1L3MBTL1LMNASMN1; SMN2 | |
| SCHEMBL14065171 | 0.80 | IMPDH2 (0.49) | IMPDH2IMPDH1L3MBTL1LMNASMN1; SMN2 | |
| SCHEMBL12154536 | 0.79 | IMPDH2 (0.76) | IMPDH2IMPDH1L3MBTL1QPCT | |
| Merimepodib SCHEMBL29376593 | 0.79 | IMPDH2 (1.00) | IMPDH2IMPDH1 | |
| SCHEMBL12300178 | 0.79 | IMPDH2 (0.71) | IMPDH2IMPDH1L3MBTL1PTGER1QPCT | |
| Merimepodib SCHEMBL329923 | 0.79 | IMPDH2 (1.00) | IMPDH2IMPDH1 | |
| Merimepodib SCHEMBL329922 | 0.79 | IMPDH2 (1.00) | IMPDH2IMPDH1 | |
| Merimepodib SCHEMBL29591763 | 0.79 | IMPDH2 (1.00) | IMPDH2IMPDH1 | |
| SCHEMBL13529966 | 0.79 | IMPDH2 (0.71) | IMPDH2IMPDH1L3MBTL1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005077969-A2 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-08-25 | — | — | WO | disclosed |
| WO-2005037274-A1 | COMBINATION THERAPY FOR HCV INFECTION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-04-28 | — | — | WO | disclosed |