Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20405448 | 1.00 | KDM4E (0.60) | KDM4EALDH1A1NPC1SIGMAR1HRH3 | |
| SCHEMBL16423966 | 1.00 | KDM4E (0.60) | KDM4EALDH1A1NPC1SIGMAR1HRH3 | |
| SCHEMBL20405327 | 1.00 | KDM4E (0.60) | KDM4EALDH1A1NPC1SIGMAR1HRH3 | |
| Hydrochloric Acid SCHEMBL16423844 | 0.99 | KDM4E (0.59) | KDM4EALDH1A1NPC1SIGMAR1HRH3 | |
| SCHEMBL16423667 | 0.88 | KDM4E (0.49) | KDM4EALDH1A1NPC1SIGMAR1HRH3 | |
| SCHEMBL20405614 | 0.88 | KDM4E (0.49) | KDM4EALDH1A1NPC1SIGMAR1HRH3 | |
| Hydrochloric Acid SCHEMBL16423755 | 0.87 | KDM4E (0.48) | KDM4EALDH1A1SIGMAR1HRH3DRD4 | |
| SCHEMBL20405422 | 0.85 | KDM4E (0.64) | KDM4EALDH1A1SIGMAR1HRH3 | |
| SCHEMBL16424425 | 0.85 | KDM4E (0.64) | KDM4EALDH1A1SIGMAR1HRH3 | |
| SCHEMBL20405381 | 0.85 | KDM4E (0.64) | KDM4EALDH1A1SIGMAR1HRH3 |
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-3027587-B1 | 1,2-DISUBSTITUTED CYCLOBUTYL COMPOUNDS | ESTEVE LABOR DR (ES) | 2018-07-25 | — | — | EP | disclosed |