Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.76 |
| ▸ | HTR1D | P28221 | 1/20 | 0.61 |
| ▸ | DRD3 | P35462 | 8/20 | 0.58 |
| ▸ | HTR1B | P28222 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 8/20 | 0.53 |
| ▸ | DRD4 | P21917 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2599107 | 1.00 | HTR1A (0.76) | HTR1AHTR1DDRD3HTR1BDRD2 | |
| SCHEMBL8672825 | 0.88 | HTR1A (0.59) | HTR1AHTR1DDRD3HTR1BDRD2 | |
| Hydrochloric Acid SCHEMBL7938715 | 0.87 | HTR1A (0.58) | HTR1AHTR1DDRD3HTR1BDRD2 | |
| SCHEMBL9359278 | 0.87 | HTR1A (1.00) | HTR1AHTR1DDRD3DRD2DRD4 | |
| SCHEMBL31558065 | 0.87 | HTR1A (1.00) | HTR1AHTR1DDRD3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL29064041 | 0.85 | HTR1A (0.97) | HTR1AHTR1DDRD3DRD2DRD4 | |
| SCHEMBL11275455 | 0.83 | HTR1D (0.61) | HTR1AHTR1DDRD3HTR1BDRD2 | |
| SCHEMBL2599184 | 0.82 | DRD2 (0.79) | HTR1ADRD3DRD2DRD4CYP2D6 | |
| SCHEMBL2599183 | 0.82 | DRD2 (0.79) | HTR1ADRD3DRD2DRD4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7328010 | 0.81 | DRD2 (0.56) | HTR1AHTR1DDRD3DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011146610-A2 | AN ENANTIOSELECTIVE SYNTHESIS OF CHIRAL AMINES FOR THE PRODUCTION OF ROTIGOTINE | DR. REDDY'S LABORATORIES LTD. (IN) | 2011-11-24 | — | — | WO | claimed |
| WO-2011146610-A2 | AN ENANTIOSELECTIVE SYNTHESIS OF CHIRAL AMINES FOR THE PRODUCTION OF ROTIGOTINE | DR. REDDY'S LABORATORIES LTD. (IN) | 2011-11-24 | — | — | WO | disclosed |