Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.85 |
| ▸ | DRD3 | P35462 | 2/20 | 0.85 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.51 |
| ▸ | HTR7 | P34969 | 3/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.51 |
| ▸ | HTR3B | O95264 | 3/20 | 0.51 |
| ▸ | HTR3A | P46098 | 3/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.51 |
| ▸ | HTR2C | P28335 | 3/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL30855584 | 0.92 | DRD2 (1.00) | DRD2DRD3ADRB1HTR1AHTR7 | |
| SCHEMBL249732 | 0.92 | DRD2 (1.00) | DRD2DRD3ADRB1HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL6408589 | 0.91 | DRD2 (0.97) | DRD2DRD3ADRB1HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL29882147 | 0.91 | DRD2 (0.97) | DRD2DRD3ADRB1HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL6494513 | 0.91 | DRD2 (0.97) | DRD2DRD3ADRB1HTR1AHTR7 | |
| SCHEMBL20159295 | 0.86 | DRD2 (0.88) | DRD2DRD3ADRB1HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL20141804 | 0.85 | DRD2 (0.85) | DRD2DRD3ADRB1HTR1AHTR7 | |
| SCHEMBL29922419 | 0.84 | HTR7 (0.65) | DRD2DRD3ADRB1HTR1AHTR7 | |
| Piperazine SCHEMBL27880049 | 0.84 | DRD2 (0.56) | DRD2DRD3CYP3A4SLC6A4 | |
| SCHEMBL112735 | 0.84 | HTR7 (0.65) | DRD2DRD3ADRB1HTR1AHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998002432-A1 | BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-22 | — | — | WO | disclosed |