Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.48 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.44 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11480291 | 0.94 | ALDH1A1 (0.54) | ALDH1A1CCR2 | |
| SCHEMBL11491553 | 0.88 | SIGMAR1 (0.45) | ALDH1A1KDM4EKCNH2CHIT1CHIA | |
| SCHEMBL9068029 | 0.87 | KDM4E (0.50) | ALDH1A1KDM4ESPHK2SPHK1CCR2 | |
| SCHEMBL11471258 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KDM4EKCNH2CHIT1CHIA | |
| SCHEMBL11470279 | 0.85 | — | — | |
| SCHEMBL10462905 | 0.84 | SPHK2 (0.50) | ALDH1A1KDM4ESPHK2SPHK1MAPK1 | |
| SCHEMBL7852374 | 0.84 | MAPK1 (0.62) | ALDH1A1KDM4ESPHK2SPHK1MAPK1 | |
| SCHEMBL11471524 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4ESPHK2SPHK1KCNH2 | |
| SCHEMBL11480434 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4EKCNH2CHIT1CHIA | |
| SCHEMBL27492 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4221788-A | 2-(Optionally-substituted)benzylperhydroazepines for analgesia and lowering blood pressure | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1980-09-09 | — | — | US | disclosed |