Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL3978572 | 0.91 | PCSK9 (0.40) | KDM4EALDH1A1RORCPCSK9CNR1 | |
| SCHEMBL3996013 | 0.88 | KDR (0.41) | KDM4EALDH1A1CNR1CNR2POLB | |
| SCHEMBL3972624 | 0.84 | POLB (0.55) | ALDH1A1POLBNR4A2 | |
| SCHEMBL3986985 | 0.84 | ABCG2 (0.47) | KDM4EALDH1A1GSK3BNR4A2JAK2 | |
| SCHEMBL3992240 | 0.81 | POLB (0.38) | ALDH1A1CNR1CNR2POLBCDK2 | |
| SCHEMBL3992947 | 0.81 | POLB (0.38) | KDM4EALDH1A1CNR1CNR2POLB | |
| SCHEMBL3989840 | 0.80 | MTNR1A (0.39) | CA12CA9NR4A2 | |
| SCHEMBL3995936 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CNR2POLBKDM4CROCK1 | |
| SCHEMBL3995880 | 0.79 | NTRK1 (0.33) | PCSK9KCNH2CA12CA9MAPK14 | |
| SCHEMBL3997478 | 0.79 | POLB (0.36) | KDM4EALDH1A1CNR1CNR2POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2065382-A1 | CGRP antagonists | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |