Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 8/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL15216101 | 0.88 | PDE10A (0.33) | PDE10ACYP3A4CYP1A1CYP1B1 | |
| SCHEMBL8004425 | 0.81 | CYP1B1 (0.35) | PDE10ACYP3A4CYP1A1CYP1B1MEN1 | |
| SCHEMBL8005282 | 0.80 | CYP1B1 (0.37) | PDE10ACYP3A4CYP1A1CYP1B1 | |
| SCHEMBL8004421 | 0.79 | ADORA2A (0.39) | ADORA2AADORA1 | |
| SCHEMBL8004418 | 0.78 | CYP1A1 (0.41) | ADORA2AADORA1ADORA3CYP3A4CYP1A1 | |
| SCHEMBL313532 | 0.77 | CYP1B1 (0.35) | PDE10ACYP3A4CYP1A1CYP1B1 | |
| SCHEMBL577723 | 0.77 | CYP1A1 (0.35) | CYP1A1CYP1B1 | |
| SCHEMBL7993473 | 0.74 | PDE3B (0.36) | ADORA2AADORA1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL8003752 | 0.74 | ADORA2A (0.38) | ADORA2AADORA1MEN1KMT2A | |
| SCHEMBL8006887 | 0.74 | ADORA2A (0.36) | ADORA2AADORA1MEN1KMT2A |
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 1 patent. 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 |