Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYSLTR1 | Q9Y271 | 7/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11678915 | 0.85 | CYP1A2 (0.51) | CYP1A2CYSLTR1CYSLTR2MAPTALOX5 | |
| SCHEMBL11683114 | 0.82 | CYP1A2 (0.54) | CYP1A2CYSLTR1CYSLTR2GPBAR1MAPT | |
| SCHEMBL28635312 | 0.75 | CYP1A2 (0.61) | CYP1A2CYSLTR1CYSLTR2GPBAR1FFAR1 | |
| SCHEMBL2678884 | 0.74 | ALDH1A1 (0.59) | MAPTALDH1A1 | |
| SCHEMBL13609768 | 0.73 | CYSLTR1 (0.50) | CYP1A2CYSLTR1CYSLTR2GPBAR1FFAR1 | |
| SCHEMBL9286000 | 0.73 | ALDH1A1 (0.58) | CYP1A2CYSLTR1CYSLTR2GPBAR1FFAR1 | |
| SCHEMBL9038428 | 0.73 | MAPT (0.59) | CYP1A2MAPTKDM4EALDH1A1GAA | |
| SCHEMBL20224982 | 0.72 | CYSLTR1 (0.53) | CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1 | |
| SCHEMBL140815 | 0.71 | CYP1A2 (0.65) | CYP1A2CYSLTR1CYSLTR2GPBAR1FFAR1 | |
| SCHEMBL5745695 | 0.71 | ALDH1A1 (0.55) | MAPTALDH1A1 |
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-4044141-A | CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-23 | — | — | US | disclosed |