Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 15/20 | 0.32 |
| ▸ | PDE5A | O76074 | 2/20 | 0.32 |
| ▸ | PDE6D | O43924 | 1/20 | 0.32 |
| ▸ | PDE6A | P16499 | 1/20 | 0.32 |
| ▸ | PDE6G | P18545 | 1/20 | 0.32 |
| ▸ | PDE6B | P35913 | 1/20 | 0.32 |
| ▸ | PDE6C | P51160 | 1/20 | 0.32 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 2/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.30 |
| ▸ | CSNK1D | P48730 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8007996 | 0.80 | ALDH1A1 (0.36) | CYP3A4SMN1; SMN2RETS1PR1NPC1 | |
| SCHEMBL8006881 | 0.77 | MEN1 (0.35) | PDE10ACYP3A4SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL8008296 | 0.77 | ALDH1A1 (0.40) | CYP3A4SMN1; SMN2NPC1ALDH1A1HPGD | |
| SCHEMBL577382 | 0.76 | SMN1; SMN2 (0.32) | SMN1; SMN2NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL8002912 | 0.74 | ALDH1A1 (0.38) | SMN1; SMN2RETS1PR1NPC1ALDH1A1 | |
| SCHEMBL8004425 | 0.74 | CYP1B1 (0.35) | PDE10ACYP3A4 | |
| SCHEMBL15216094 | 0.74 | SLC2A1 (0.37) | SMN1; SMN2RETS1PR1NPC1ALDH1A1 | |
| SCHEMBL7995957 | 0.74 | ALDH1A1 (0.36) | SMN1; SMN2RETS1PR1NPC1ALDH1A1 | |
| SCHEMBL8005145 | 0.73 | PDE3B (0.38) | CYP3A4SMN1; SMN2RETS1PR1NPC1 | |
| SCHEMBL7995961 | 0.70 | SLC2A1 (0.43) | SMN1; SMN2NPC1ALDH1A1HPGDRAB9A |
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-2250174-B1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS INC (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |