Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7184439 | 0.99 | GBA1 (0.40) | GBA1AURKACYP3A4CYP2D6GPR84 | |
| SCHEMBL5775960 | 0.84 | NPY5R (0.56) | GBA1CYP3A4NPY5RADORA3ADORA2A | |
| SCHEMBL5773056 | 0.79 | PDE5A (0.39) | CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL5776728 | 0.78 | PDE5A (0.44) | NPY5RADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL8126898 | 0.78 | IGF1R (0.39) | NPY5RADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL5771208 | 0.78 | KDM4E (0.39) | CYP3A4CYP2D6ADORA3ADORA2AADORA1 | |
| SCHEMBL5774513 | 0.77 | HIF1A (0.49) | CYP3A4CYP2D6NPY5RPIK3CDADORA3 | |
| SCHEMBL7185043 | 0.75 | ACHE (0.62) | CYP3A4CYP2D6NPY5RCNR1 | |
| SCHEMBL5773067 | 0.75 | F10 (0.39) | CYP3A4ADORA2AADORA1KDM4E | |
| SCHEMBL6216000 | 0.74 | MEN1 (0.46) | ADORA3ADORA2AADORA1KDM4E |
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-1054887-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | Amgen Inc. (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999040091-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | AMGEN INC. (US) | 1999-08-12 | — | — | WO | disclosed |