Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL5775959 | 0.85 | NPY5R (0.48) | ESR1ESR2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL12370201 | 0.76 | ESR1 (0.53) | ESR1ESR2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL724007 | 0.76 | MAPK14 (0.43) | ESR1ESR2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL5773493 | 0.75 | NPY5R (0.51) | CYP1A2LMNAADORA2AADORA1MAPT | |
| Hydrochloric Acid SCHEMBL5771488 | 0.74 | NPY5R (0.50) | CYP1A2LMNAADORA2AADORA1MAPT | |
| SCHEMBL5771247 | 0.74 | GABRP (0.46) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12357043 | 0.70 | ESR1 (0.49) | ESR1ESR2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29723768 | 0.69 | LMNA (0.41) | LMNAMAPTPOLB | |
| SCHEMBL31353192 | 0.68 | LMNA (0.41) | PTGS2LMNAADORA3ADORA2AADORA2B | |
| SCHEMBL31353213 | 0.68 | MAPT (0.50) | MAPK14PTGS2LMNAADORA3ADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1054887-B1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2006-04-12 | — | — | EP | disclosed |
| US-6583154-B1 | Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines | AMGEN INC. | 2003-06-24 | — | — | US | disclosed |
| US-6187777-B1 | PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS | AMGEN INC. | 2001-02-13 | — | — | US | disclosed |