Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 6/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.42 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1670826 | 0.96 | ITGB3 (0.41) | ITGB3ITGA2BITGA2TACR1PDK2 | |
| SCHEMBL1670823 | 0.89 | ITGB3 (0.36) | ITGB3ITGA2BITGA2TACR1PDK2 | |
| SCHEMBL1670831 | 0.85 | SMN1; SMN2 (0.36) | ITGB3ITGA2BITGA2TACR1PDK2 | |
| SCHEMBL1668840 | 0.83 | NAMPT (0.42) | HPGDMAPTCA1CA2NAMPT | |
| SCHEMBL1670835 | 0.78 | OPRM1 (0.43) | MAPTCA2NAMPTHDAC1TP53 | |
| SCHEMBL12800418 | 0.76 | OPRM1 (0.40) | ITGB3ITGA2BTACR1 | |
| SCHEMBL12801195 | 0.74 | KDM4E (0.42) | TACR1NAMPTHDAC1 | |
| Trifluoroacetic Acid SCHEMBL1668669 | 0.73 | APP (0.35) | TACR1PDK2 | |
| Trifluoroacetic Acid SCHEMBL1668616 | 0.71 | FFAR4 (0.43) | TACR1 | |
| SCHEMBL1669606 | 0.71 | CA12 (0.47) | PDK2HPGDMAPTCA1CA2 |
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-2011048409-A1 | CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ASTRAZENECA AB (SE) | 2011-04-28 | — | — | WO | disclosed |