Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1701451 | 0.83 | PDE10A (0.48) | CYP1A2CYP2C9CYP2C19TNKSMAPT | |
| SCHEMBL7683682 | 0.78 | MAPT (0.47) | TNKSMAPTTDP1L3MBTL1KMT2A | |
| SCHEMBL7689844 | 0.72 | POLB (0.47) | CYP1A2CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL9980970 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19MAPTKMT2A | |
| SCHEMBL1701288 | 0.70 | PDE10A (0.41) | CYP1A2CYP2C9CYP2C19MAPTKMT2A | |
| SCHEMBL7688852 | 0.68 | GRM5 (0.55) | GRM5CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21759753 | 0.67 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19MAPTL3MBTL1 | |
| SCHEMBL21759835 | 0.67 | TP53 (0.38) | CYP1A2CYP2C9CYP2C19MAPTL3MBTL1 | |
| SCHEMBL1701306 | 0.67 | GABRP (0.47) | CYP1A2CYP2C9CYP2C19MAPTL3MBTL1 | |
| SCHEMBL7693112 | 0.66 | AKT1 (0.48) | MAPTKDM4EATMSMN1; SMN2 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |