Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 5/20 | 0.48 |
| ▸ | CNR1 | P21554 | 4/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27947590 | 0.91 | ABCG2 (0.47) | CNR2CNR1ABCG2PDE10ACYP1A2 | |
| SCHEMBL27931168 | 0.87 | ABCG2 (0.46) | ABCG2PDE10ACYP1A2MAPTNPC1 | |
| SCHEMBL28810100 | 0.87 | MAPT (0.51) | CNR2CNR1ABCG2CYP1A2MAPT | |
| SCHEMBL27931243 | 0.83 | ABCG2 (0.60) | ABCG2PDE10ACYP1A2DRD4MAPT | |
| SCHEMBL27931159 | 0.77 | MAPT (0.50) | CNR2CYP1A2MAPTNPC1RAB9A | |
| SCHEMBL27947630 | 0.77 | HTR3A (0.57) | ABCG2CYP1A2MAPTNPC1RAB9A | |
| SCHEMBL27947579 | 0.76 | CYP1A2 (0.44) | ABCG2CYP1A2VCP | |
| SCHEMBL27947585 | 0.73 | SIRT1 (0.56) | ABCG2CYP1A2MAPTNPC1RAB9A | |
| SCHEMBL27947606 | 0.72 | BACE1 (0.51) | CYP1A2MAPTNPC1RAB9ACYP2C9 | |
| SCHEMBL28110410 | 0.72 | CYP1A2 (0.58) | ABCG2PDE10ACYP1A2MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103459382-A | Heterocyclic compounds for the inhibition of pask | BIOENERGENIX LLC | 2013-12-18 | — | — | CN | claimed |