Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL852436 | 0.82 | ORAI1 (0.41) | PSIP1PCSK9CA4CA6CA5A | |
| SCHEMBL29216494 | 0.78 | CA4 (0.34) | PSIP1PCSK9CA4CA6CA5A | |
| SCHEMBL15924441 | 0.78 | CA1 (0.43) | PCSK9CA4CA6CA5ACA7 | |
| SCHEMBL1742560 | 0.77 | L3MBTL1 (0.38) | PCSK9CA4CA6CA5ACA7 | |
| SCHEMBL28101095 | 0.76 | KMT2A (0.38) | PSIP1HSD11B1SMN1; SMN2L3MBTL1 | |
| SCHEMBL4020473 | 0.76 | ALDH1A1 (0.47) | PCSK9CA7CA14TSHRSMN1; SMN2 | |
| SCHEMBL7377059 | 0.73 | MAPT (0.37) | PCSK9CA4CA6CA5ACA7 | |
| SCHEMBL1722636 | 0.72 | PCSK9 (0.45) | PCSK9CA4CA6CA5ACA7 | |
| SCHEMBL7259226 | 0.72 | CA2 (0.47) | HSD11B1SMN1; SMN2NPSR1POLBL3MBTL1 | |
| SCHEMBL3403354 | 0.72 | ORAI1 (0.35) | PCSK9CA4CA6CA5ACA7 |
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-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |