Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.64 |
| ▸ | HTR3B | O95264 | 2/20 | 0.64 |
| ▸ | HTR3A | P46098 | 2/20 | 0.64 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.64 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | THPO | P40225 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 6-Nitroquipazine SCHEMBL401156 | 0.78 | ALDH1A1 (1.00) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7960345 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9318631 | 0.75 | ALDH1A1 (0.64) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL31060742 | 0.74 | ALDH1A1 (0.90) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3299921 | 0.73 | HTR3A (0.58) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6364738 | 0.72 | ALDH1A1 (0.66) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4002581 | 0.72 | ADRB1 (0.58) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL26650780 | 0.71 | NQO2 (0.51) | ALDH1A1CYP3A4 | |
| SCHEMBL31357879 | 0.71 | NQO2 (0.55) | ALDH1A1CYP3A4LMNANPSR1 | |
| 6-Nitroquipazine SCHEMBL4266389 | 0.71 | ALDH1A1 (1.00) | ALDH1A1HTR3EHTR3BHTR3AHTR3D |
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-5372813-A | Measurement of serotonin uptake sites in a sample using a radio labeled substituted 6-nitroquipazine as a radioligand | THE REGENTS, UNIVERSITY OF CALIFORNIA (US) | 1994-12-13 | — | — | US | disclosed |