Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.34 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.34 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.34 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL19635081 | 0.68 | HRH3 (0.40) | HRH3KCNH2AOC3CYP3A4CYP2C9 | |
| SCHEMBL19615233 | 0.67 | HRH3 (0.39) | HRH3KCNH2AOC3MRGPRX4ALDH1A1 | |
| SCHEMBL12733063 | 0.63 | KCNH2 (0.41) | HRH3KCNH2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL3143601 | 0.62 | TDP1 (0.54) | HRH3KCNH2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL2020517 | 0.61 | ESR2 (0.59) | CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL2020874 | 0.61 | KDM1A (0.51) | HRH3KCNH2MAPTHTT | |
| SCHEMBL24378111 | 0.61 | HCAR2 (0.30) | — | |
| SCHEMBL29515354 | 0.61 | PRMT5 (0.41) | HRH3KCNH2PRMT5HTTL3MBTL1 | |
| SCHEMBL24323890 | 0.61 | PRMT5 (0.41) | HRH3KCNH2PRMT5HTTL3MBTL1 | |
| SCHEMBL8194487 | 0.60 | DRD2 (0.51) | HRH3KCNH2ALDH1A1MAPTPDE9A |
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 |