Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 2/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16886837 | 0.76 | CA1 (0.43) | CA1CA2CA5ACA9HSD11B1 | |
| SCHEMBL517476 | 0.76 | PDE2A (0.52) | CA1CA2CA5ACA9HSD11B1 | |
| SCHEMBL9876029 | 0.75 | CA1 (0.46) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL18548321 | 0.75 | CYP2A6 (0.44) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL13526 | 0.75 | CA1 (0.46) | CA1CA2CA5ACA9HSD11B1 | |
| SCHEMBL1085590 | 0.75 | CA1 (0.46) | CA1CA2CA5ACA9HSD11B1 | |
| SCHEMBL2079860 | 0.74 | HSD11B1 (0.47) | CA1CA2CA9HSD11B1ALDH1A1 | |
| SCHEMBL19219 | 0.73 | HSD11B1 (0.54) | CA1CA2CA5ACA9HSD11B1 | |
| SCHEMBL18846 | 0.73 | HSD11B1 (0.54) | CA1CA2CA5ACA9HSD11B1 | |
| SCHEMBL16737 | 0.73 | HSD11B1 (0.54) | CA1CA2CA5ACA9HSD11B1 |
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-2014035872-A1 | TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN | AMGEN INC. (US) | 2014-03-06 | — | — | WO | disclosed |
| WO-2014035872-A1 | TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN | AMGEN INC. (US) | 2014-03-06 | — | — | WO | disclosed |