Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | CFTR | P13569 | 2/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 4/20 | 0.51 |
| ▸ | BRD4 | O60885 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13806232 | 0.83 | MMP2 (0.44) | ALDH1A1HSD17B10NR4A2KDM4EHPGD | |
| SCHEMBL20605270 | 0.82 | NR4A2 (0.51) | ALDH1A1HSD17B10CFTRNR4A2BRD4 | |
| SCHEMBL2174952 | 0.80 | CA9 (0.56) | ALDH1A1HSD17B10CFTRNR4A2BRD4 | |
| SCHEMBL1093623 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CFTRNR4A2BRD4 | |
| SCHEMBL2175858 | 0.77 | NR4A2 (0.47) | ALDH1A1HSD17B10CFTRNR4A2BRD4 | |
| SCHEMBL1093038 | 0.77 | NR4A2 (0.47) | ALDH1A1HSD17B10CFTRNR4A2BRD4 | |
| SCHEMBL13806220 | 0.76 | NR4A2 (0.55) | ALDH1A1HSD17B10CFTRNR4A2BRD4 | |
| SCHEMBL26581229 | 0.74 | NR4A2 (0.60) | ALDH1A1NR4A2BRD4KDM4EMAPT | |
| SCHEMBL8416022 | 0.74 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CFTRNR4A2BRD4 | |
| SCHEMBL17113153 | 0.73 | NR4A2 (0.59) | ALDH1A1NR4A2BRD4KDM4EMAPT |
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 3 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 |
| WO-2009050237-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |