Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL4862722 | 0.78 | CALCRL (0.38) | AOC3PARP1ITGB3ITGA2B | |
| SCHEMBL6802072 | 0.76 | HTR1A (0.39) | CYP17A1CYP21A2CYP11B1AOC3F10 | |
| SCHEMBL4720815 | 0.75 | L3MBTL3 (0.41) | — | |
| SCHEMBL4717217 | 0.68 | AKT1 (0.48) | — | |
| SCHEMBL4851302 | 0.67 | CALCA (0.42) | SMN1; SMN2PARP1TNKSPARP14 | |
| SCHEMBL4766522 | 0.67 | NAMPT (0.43) | SMN1; SMN2 | |
| SCHEMBL6601293 | 0.66 | SMN1; SMN2 (0.53) | AKR1C3TRPV1SMN1; SMN2 | |
| SCHEMBL7010740 | 0.65 | AKT1 (0.49) | — | |
| SCHEMBL3954177 | 0.64 | CALCRL (0.53) | — | |
| SCHEMBL7005623 | 0.63 | AKT1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1558600-B1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-05-07 | — | — | EP | claimed |