Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29115998 | 0.82 | CA2 (0.39) | CA2CA12CA1CA9CHKA | |
| SCHEMBL27619075 | 0.81 | CHRNB2 (0.47) | CA2CA12CA1CA9CHKA | |
| SCHEMBL6112 | 0.80 | MAPT (0.48) | CA2CA12CA1CA9CHKA | |
| SCHEMBL14319076 | 0.80 | SMN1; SMN2 (0.39) | CHRM5CHRM3POLB | |
| Hydrochloric Acid SCHEMBL4591291 | 0.79 | CHRNB2 (0.45) | CA2CA12CA1CA9CHKA | |
| Hydrochloric Acid SCHEMBL3845854 | 0.78 | MAPT (0.47) | CA2CA12CA1CA9CHKA | |
| Hydrochloric Acid SCHEMBL27626557 | 0.78 | MAPT (0.47) | CA2CA12CA1CA9CHKA | |
| SCHEMBL25703358 | 0.77 | CA2 (0.45) | CA2CA12CA1CA9CHKA | |
| SCHEMBL12872504 | 0.77 | HTR1A (0.53) | HSD11B1CYP1A2POLB | |
| SCHEMBL17734173 | 0.75 | MAPT (0.58) | CA12CA1CA9POLB |
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-2012068450-A1 | CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS | INCYTE CORPORATION (US) | 2012-05-24 | — | — | WO | disclosed |