Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 7/20 | 0.45 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7071623 | 0.88 | ALDH1A1 (0.51) | MCHR1CYP1A2DRD2PMP22EPHX2 | |
| SCHEMBL7774081 | 0.83 | ALDH1A1 (0.50) | MCHR1DRD4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7075387 | 0.82 | ALDH1A1 (0.44) | CYP1A2CYP3A4CYP2D6KCNH2ALDH1A1 | |
| SCHEMBL7778723 | 0.81 | ALDH1A1 (0.48) | DRD4CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL7817609 | 0.80 | HTR1A (0.46) | MCHR1DRD4CYP1A2CYP2D6DRD2 | |
| SCHEMBL8989768 | 0.80 | ALDH1A1 (0.49) | DRD2EPHX2KCNH2ALDH1A1HTR1A | |
| SCHEMBL7778722 | 0.80 | KDM1A (0.50) | CD274 | |
| Cyclohexane SCHEMBL7076604 | 0.79 | ALDH1A1 (0.43) | KCNH2ALDH1A1HTR1AMAOAMAOB | |
| Cyclopentane SCHEMBL7071122 | 0.79 | ALDH1A1 (0.43) | KCNH2ALDH1A1HTR1AMAOAMAOB | |
| SCHEMBL8989722 | 0.78 | DRD4 (0.55) | MCHR1DRD4CYP1A2CYP3A4CYP2D6 |
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 4 patents. 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 |
| US-5616705-A | N-substituted azabicycloheptane derivatives, their preparation and use | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-01 | — | — | US | disclosed |
| EP-0740658-A1 | N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS | BASF AKTIENGESELLSCHAFT (DE) | 1996-11-06 | — | — | EP | disclosed |
| WO-1995015312-A1 | N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS | BASF AKTIENGESELLSCHAFT (DE) | 1995-06-08 | — | — | WO | disclosed |