Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 14/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 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 | |
|---|---|---|---|---|
| SCHEMBL17224976 | 0.80 | HCAR2 (0.70) | HCAR2 | |
| SCHEMBL16445518 | 0.79 | HCAR2 (0.53) | HCAR2PRKAG1PRKAA1PRKAB1 | |
| SCHEMBL24378068 | 0.73 | HCAR2 (0.33) | HCAR2 | |
| SCHEMBL28543309 | 0.70 | HCAR2 (0.45) | HCAR2 | |
| SCHEMBL28835653 | 0.69 | HCAR2 (0.47) | HCAR2MAPK1ALDH1A1 | |
| SCHEMBL19634905 | 0.67 | KDM4E (0.47) | HCAR2ALDH1A1 | |
| SCHEMBL25240918 | 0.66 | HCAR2 (0.44) | HCAR2MAPK1ALDH1A1KDM5AKDM5B | |
| SCHEMBL28542157 | 0.64 | KDM4C (0.53) | HCAR2MAPK1ALDH1A1 | |
| SCHEMBL19615409 | 0.64 | HCAR2 (0.33) | HCAR2MAPK1ALDH1A1 | |
| SCHEMBL31082342 | 0.64 | LMNA (0.36) | HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |