Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.54 |
| ▸ | DRD2 | P14416 | 16/20 | 0.53 |
| ▸ | HTR2A | P28223 | 16/20 | 0.53 |
| ▸ | HTR1A | P08908 | 9/20 | 0.53 |
| ▸ | HTR2C | P28335 | 5/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.53 |
| ▸ | HRH1 | P35367 | 4/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.53 |
| ▸ | DRD1 | P21728 | 3/20 | 0.53 |
| ▸ | DRD4 | P21917 | 3/20 | 0.53 |
| ▸ | DRD5 | P21918 | 3/20 | 0.53 |
| ▸ | HTR1B | P28222 | 3/20 | 0.53 |
| ▸ | HTR7 | P34969 | 3/20 | 0.53 |
| ▸ | DRD3 | P35462 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8803158 | 0.97 | KCNH2 (0.51) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| SCHEMBL8806669 | 0.91 | DRD2 (0.47) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| SCHEMBL8806205 | 0.89 | DRD2 (0.46) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| SCHEMBL8803940 | 0.85 | KCNH2 (0.40) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| Hydrochloric Acid SCHEMBL9247876 | 0.84 | KCNH2 (0.39) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| SCHEMBL8805764 | 0.83 | KCNH2 (0.37) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| SCHEMBL8806120 | 0.81 | CYP2D6 (0.36) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| SCHEMBL8804858 | 0.80 | CYP2D6 (0.36) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| SCHEMBL9142589 | 0.80 | CYP2D6 (0.35) | KCNH2DRD2HTR2AHTR1AHTR2C | |
| SCHEMBL8804868 | 0.80 | CYP2D6 (0.35) | KCNH2DRD2HTR2AHTR1AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0647231-B1 | N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS, ETC. | BASF AG (DE) | 1997-08-27 | — | — | EP | disclosed |
| US-5475105-A | N-substituted azabicycloheptane derivatives | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | disclosed |