Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | RHEB | Q15382 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzyl Alcohol SCHEMBL10457557 | 0.69 | TSHR (0.75) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL19635107 | 0.69 | TSHR (0.42) | TSHRKDM4EPOLBALDH1A1RHEB | |
| Hydrogen Peroxide SCHEMBL28758135 | 0.69 | TSHR (0.94) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL26086950 | 0.67 | TSHR (0.71) | TSHRCA1CA2CA7CA9 | |
| Ethylene Glycol SCHEMBL130292 | 0.67 | TSHR (0.79) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL25955862 | 0.67 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL21607779 | 0.67 | TSHR (0.47) | TSHRGHSRL3MBTL1 | |
| SCHEMBL5311581 | 0.66 | TSHR (1.00) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL27380 | 0.66 | TSHR (1.00) | TSHRCA1CA2CA7CA9 | |
| Benzene SCHEMBL27997624 | 0.66 | TSHR (1.00) | TSHRCA1CA2CA7CA9 |
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-3458459-B1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |