Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.32 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.32 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.32 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29453607 | 0.89 | TRPV4 (0.52) | CA1CA2TSHRTRPV4MGLL | |
| SCHEMBL249039 | 0.89 | TRPV4 (0.52) | CA1CA2TSHRTRPV4MGLL | |
| SCHEMBL133375 | 0.84 | TRPV4 (0.58) | TRPV4ALDH1A1KDM4EHDAC4ATM | |
| SCHEMBL3510431 | 0.77 | CA1 (0.38) | CA1CA2TSHRALDH1A1KDM4E | |
| SCHEMBL31354845 | 0.75 | MGLL (0.41) | CA1CA2TSHRTRPV4MGLL | |
| SCHEMBL13260557 | 0.72 | MGLL (0.38) | TRPV4MGLLORAI1ORAI2ORAI3 | |
| SCHEMBL14235111 | 0.71 | CA2 (0.43) | CA1CA2TSHRMGLLORAI1 | |
| SCHEMBL18151841 | 0.69 | MLYCD (0.43) | TRPV4ALDH1A1KDM4EATML3MBTL1 | |
| SCHEMBL2556277 | 0.69 | ENPP2 (0.39) | CA1CA2TSHRMGLLENPP2 | |
| SCHEMBL29767159 | 0.69 | ENPP2 (0.39) | CA1CA2TSHRMGLLENPP2 |
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-2321268-A2 | BI-ARYL AMINOTETRALINES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010018113-A2 | BI-ARYL AMINOTETRALINES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-18 | — | — | WO | disclosed |