Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 16/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4554542 | 0.99 | ADRB2 (0.50) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| SCHEMBL2817307 | 0.79 | ADRB2 (0.56) | ADRB2ADRB1DRD3 | |
| SCHEMBL2814120 | 0.79 | ADRB2 (0.56) | ADRB2ADRB1DRD3 | |
| SCHEMBL2813205 | 0.79 | ADRB2 (0.56) | ADRB2ADRB1DRD3 | |
| SCHEMBL2815404 | 0.78 | ADRB2 (0.54) | ADRB2ADRB1DRD3 | |
| SCHEMBL3685868 | 0.76 | ADRB2 (0.49) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| SCHEMBL27717348 | 0.76 | ADRB2 (0.59) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| Hydrochloric Acid SCHEMBL27738410 | 0.75 | ADRB2 (0.58) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| SCHEMBL1683042 | 0.75 | ADRB2 (0.48) | ADRB2ADRB1ABCB11DRD2PDE4A | |
| SCHEMBL2210710 | 0.75 | ADRB2 (0.48) | ADRB2ADRB1ABCB11DRD2PDE4A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010004319-A1 | COMBINATION COMPRISING 6-FLU0R0-N- ((1S, 4S) - 4- (6-FLUORO-2, 4-DI0X0-1- (4'- (PIPERAZIN-1- YLMETHYL) BIPHENYL- 3-YL) -1, 2-DIHYDROPYRIDO [2, 3-D] PYRIMIDIN-3 (4H) - YL) CYCLOHEXYL) IMIDAZO [1,2-A] PYRIDINE -2- CARBOXAMIDE OR A SALT | ASTRAZENECA AB (SE) | 2010-01-14 | — | — | WO | disclosed |
| WO-2009154562-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2009-12-23 | — | — | WO | disclosed |