Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL7071122 | 1.00 | ALDH1A1 (0.43) | ALDH1A1SIGMAR1CNR1KDM4EHTR1A | |
| Cyclopentane SCHEMBL7071125 | 0.88 | PLD1 (0.41) | SIGMAR1CD274 | |
| Cyclohexane SCHEMBL7073239 | 0.88 | PLD1 (0.41) | SIGMAR1CD274 | |
| Cyclopropane SCHEMBL7076457 | 0.88 | PLD1 (0.41) | SIGMAR1CD274 | |
| SCHEMBL8877274 | 0.87 | MAPT (0.45) | ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8875769 | 0.85 | ALDH1A1 (0.44) | ALDH1A1GAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7071623 | 0.82 | ALDH1A1 (0.51) | ALDH1A1SIGMAR1HTR1AMAOAMAOB | |
| SCHEMBL8878672 | 0.81 | MAPK1 (0.43) | ALDH1A1HTR1AMAOAMAOBKCNH2 | |
| SCHEMBL7075387 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EHTR1AMAOAMAOB | |
| SCHEMBL8989768 | 0.81 | ALDH1A1 (0.49) | ALDH1A1SIGMAR1HTR1AMAOAMAOB |
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-0740658-B1 | N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS | ABBOTT GMBH & CO KG (DE) | 2003-07-02 | — | — | EP | disclosed |