Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 4/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 3/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 3/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19968282 | 0.72 | TRPV6 (0.41) | TRPV6ORAI1ORAI2ORAI3CA4 | |
| SCHEMBL343427 | 0.72 | TRPV6 (0.41) | TRPV6ORAI1ORAI2ORAI3CA4 | |
| SCHEMBL24851198 | 0.70 | TRPV6 (0.39) | TRPV6ORAI1ORAI2ORAI3CA4 | |
| SCHEMBL9194256 | 0.69 | — | — | |
| SCHEMBL7632462 | 0.68 | TRPV6 (0.50) | TRPV6ORAI1ORAI2ORAI3CA4 | |
| SCHEMBL29066693 | 0.67 | — | — | |
| SCHEMBL22594542 | 0.65 | PCSK9 (0.38) | TRPV6ORAI1ORAI2ORAI3CA4 | |
| SCHEMBL25491236 | 0.64 | TSHR (0.43) | TRPV6ORAI1ORAI2ORAI3CA4 | |
| SCHEMBL18196387 | 0.63 | — | — | |
| SCHEMBL14603960 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107880075-A | Rhodium catalyst and the method for preparing amines | 武田药品工业株式会社 | 2018-04-06 | — | — | CN | disclosed |
| CN-104321330-B | Rhodium catalyst and process for producing amine compound | 武田药品工业株式会社 | 2017-12-08 | — | — | CN | disclosed |
| CN-104321330-A | Rhodium catalyst and process for producing amine compound | TAKEDA PHARMACEUTICAL | 2015-01-28 | — | — | CN | disclosed |