Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | HTR1D | P28221 | 1/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11007868 | 0.90 | ADRA1D (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9ADRA1D | |
| SCHEMBL10744006 | 0.89 | SLC6A4 (0.53) | CYP2D6ADRA1DSLC6A4HTR1ADRD2 | |
| SCHEMBL10738817 | 0.85 | ADRA1D (0.49) | CYP2D6ADRA1DSLC6A4HTR1ADRD2 | |
| SCHEMBL11013197 | 0.83 | DRD2 (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9ADRA1D | |
| SCHEMBL11047479 | 0.81 | ADRA1D (0.61) | CYP2D6ADRA1DSLC6A4HTR2AHTR7 | |
| SCHEMBL7649189 | 0.80 | KDM4E (0.67) | CYP2D6CYP1A2CYP3A4CYP2C9ADRA1D | |
| SCHEMBL14306777 | 0.78 | ADRA1D (0.80) | CYP2D6ADRA1DSLC6A4 | |
| SCHEMBL8558927 | 0.77 | ADRA1D (0.63) | CYP1A2CYP3A4CYP2C9ADRA1DSLC6A4 | |
| Hydrochloric Acid SCHEMBL9031120 | 0.77 | CYP1A2 (0.63) | CYP2D6CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL8559411 | 0.76 | HTR1A (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9THPO |
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 |
|---|---|---|---|---|---|---|---|
| US-4665075-A | ANTISEROTONINE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-05-12 | — | — | US | disclosed |
| EP-0184258-A2 | Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-06-11 | — | — | EP | disclosed |