Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1670823 | 0.96 | ITGB3 (0.36) | SMN1; SMN2TACR1ITGB3ITGA2BRAB9A | |
| Trifluoroacetic Acid SCHEMBL1670826 | 0.89 | ITGB3 (0.41) | SMN1; SMN2TACR1ITGB3ITGA2BNPC1 | |
| Trifluoroacetic Acid SCHEMBL1670822 | 0.85 | ITGB3 (0.42) | TACR1ITGB3ITGA2BITGA2TP53 | |
| SCHEMBL1670835 | 0.74 | OPRM1 (0.43) | SMN1; SMN2NPC1RAB9ATP53HTT | |
| SCHEMBL12800770 | 0.74 | OPRD1 (0.42) | SMN1; SMN2TACR1HTTOPRM1HDAC1 | |
| SCHEMBL1668619 | 0.73 | FFAR4 (0.35) | TACR1 | |
| SCHEMBL12801195 | 0.72 | KDM4E (0.42) | TACR1HDAC1 | |
| SCHEMBL1668840 | 0.71 | NAMPT (0.42) | TP53OPRM1POLB | |
| SCHEMBL1669606 | 0.69 | CA12 (0.47) | SMN1; SMN2TP53HTTOPRM1PDK2 | |
| SCHEMBL12800418 | 0.69 | OPRM1 (0.40) | TACR1ITGB3ITGA2BOPRM1 |
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 |