Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL6844911 | 0.86 | ADORA2A (0.35) | PDE10AADORA2ACYP2E1CYP3A4CYP2A6 | |
| SCHEMBL313767 | 0.86 | MAPT (0.39) | PDE10AADORA2ACYP2E1CYP3A4CYP2A6 | |
| SCHEMBL15215571 | 0.85 | ADORA2A (0.37) | PDE10AADORA2ACYP2E1CYP3A4CYP2A6 | |
| SCHEMBL10221665 | 0.83 | TYK2 (0.32) | CYP19A1 | |
| SCHEMBL8135887 | 0.81 | PDE10A (0.34) | PDE10AADORA2ACYP3A4CYP2C9SRC | |
| SCHEMBL3625504 | 0.78 | MAPT (0.40) | PDE10AADORA2ACYP2E1CYP3A4CYP2A6 | |
| SCHEMBL6844944 | 0.77 | MAPT (0.37) | CYP3A4CYP2C9RAB9AMAPTCYP19A1 | |
| SCHEMBL10250159 | 0.76 | PTGES (0.37) | SMPD1 | |
| SCHEMBL13090548 | 0.73 | MAPT (0.40) | PDE10AADORA2ACYP2E1CYP3A4CYP2A6 | |
| SCHEMBL315199 | 0.73 | ALDH1A1 (0.37) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011017389-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV | IDENIX PHARMACEUTICALS, INC. (US) | 2011-02-10 | — | — | WO | disclosed |