Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 9/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 11/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL313532 | 0.89 | CYP1B1 (0.35) | CYP1B1CYP1A1PDE10ACYP3A4CYP1A2 | |
| SCHEMBL8004425 | 0.89 | CYP1B1 (0.35) | CYP1B1CYP1A1PDE10ACYP3A4CYP1A2 | |
| SCHEMBL15216101 | 0.81 | PDE10A (0.33) | CYP1B1CYP1A1PDE10ACYP3A4 | |
| SCHEMBL314529 | 0.81 | KDM4E (0.38) | CYP1B1CYP1A1 | |
| SCHEMBL883446 | 0.81 | MAPT (0.38) | CYP1B1CYP1A1CYP3A4CYP1A2 | |
| SCHEMBL577251 | 0.80 | CYP1A1 (0.35) | CYP1B1CYP1A1 | |
| SCHEMBL15216083 | 0.80 | ADORA2A (0.35) | CYP1B1CYP1A1PDE10ACYP3A4 | |
| SCHEMBL12362342 | 0.79 | KDM4E (0.41) | CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL8005279 | 0.79 | MEN1 (0.36) | CYP1B1CYP1A1PDE10ACYP3A4CYP1A2 | |
| SCHEMBL8008964 | 0.76 | NPC1 (0.37) | CYP1B1CYP1A1CYP1A2 |
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-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |