Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570364 | 0.82 | TSHR (0.64) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL4788457 | 0.81 | KDM4E (0.61) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL11146323 | 0.79 | TSHR (0.67) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL6043011 | 0.78 | TSHR (0.58) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL8570929 | 0.76 | TSHR (0.61) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL1691827 | 0.76 | TSHR (0.61) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL8157722 | 0.76 | ALDH1A1 (0.61) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL21408338 | 0.76 | KDM4E (0.78) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL5311581 | 0.75 | TSHR (1.00) | TSHRKDM4EPOLBCA1IDO1 | |
| SCHEMBL27380 | 0.75 | TSHR (1.00) | TSHRKDM4EPOLBCA1IDO1 |
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-2931708-B1 | CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF | DIVERCHIM (FR) | 2017-05-10 | — | — | EP | disclosed |