Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3995936 | 0.93 | ALDH1A1 (0.44) | ABCG2MTNR1AMTNR1BNQO2ALDH1A1 | |
| SCHEMBL3989840 | 0.89 | MTNR1A (0.39) | ABCG2MTNR1AMTNR1BNQO2NR4A2 | |
| SCHEMBL3996013 | 0.86 | KDR (0.41) | ALDH1A1KDM4ELMNAHSD17B10NR4A2 | |
| SCHEMBL3973248 | 0.84 | KDM4E (0.42) | ALDH1A1KDM4ENR4A2JAK2LCK | |
| SCHEMBL3990318 | 0.83 | NR4A2 (0.35) | ABCG2MTNR1AMTNR1BALDH1A1KDM4E | |
| SCHEMBL3972624 | 0.82 | POLB (0.55) | ALDH1A1LMNAHTTNR4A2RAB9A | |
| SCHEMBL16312903 | 0.81 | ABCG2 (0.61) | ABCG2MTNR1AMTNR1BNQO2ADRB2 | |
| SCHEMBL3992947 | 0.79 | POLB (0.38) | ALDH1A1KDM4ELMNA | |
| SCHEMBL3992240 | 0.79 | POLB (0.38) | ALDH1A1LMNAHTTNR4A2 | |
| SCHEMBL3978572 | 0.77 | PCSK9 (0.40) | ALDH1A1KDM4ELMNAHTT |
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-2065382-A1 | CGRP antagonists | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |