Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6526248 | 0.80 | CYP2D6 (0.41) | CYP2D6CYP3A4TSHRL3MBTL1PRNP | |
| SCHEMBL6526247 | 0.79 | HDAC1 (0.40) | CYP2D6CYP3A4TSHRL3MBTL1PRNP | |
| Trifluoroacetic Acid SCHEMBL3721770 | 0.79 | PRNP (0.46) | CYP2D6CYP3A4TSHRPRNPCHRM2 | |
| SCHEMBL3722865 | 0.78 | OPRL1 (0.48) | CYP2D6CYP3A4TSHRL3MBTL1SIGMAR1 | |
| SCHEMBL3667492 | 0.75 | CYP2D6 (0.44) | CYP2D6CYP3A4TSHRL3MBTL1PRNP | |
| SCHEMBL29444528 | 0.75 | TSHR (0.45) | CYP2D6CYP3A4TSHRL3MBTL1SIGMAR1 | |
| SCHEMBL3665994 | 0.73 | DRD4 (0.41) | CYP2D6CYP3A4TSHRL3MBTL1PRNP | |
| SCHEMBL3668622 | 0.72 | OPRL1 (0.53) | CYP2D6CYP3A4TSHRL3MBTL1OPRM1 | |
| Hydrochloric Acid SCHEMBL3667689 | 0.71 | POLB (0.44) | CYP2D6CYP3A4TSHRL3MBTL1OPRM1 | |
| SCHEMBL3829055 | 0.71 | CYP2D6 (0.46) | CYP2D6CYP3A4TSHROPRM1SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240483-A1 | PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS | Array Biopharma, Inc. (US) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009089454-A1 | PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2009-07-16 | — | — | WO | disclosed |