Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.46 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13672068 | 1.00 | DRD2 (0.53) | DRD2ADRB1HTR6HTR1AHTR2A | |
| SCHEMBL4675159 | 0.79 | HTR6 (0.64) | DRD2HTR6HTR1AHTR2ADRD3 | |
| SCHEMBL4675195 | 0.79 | HTR6 (0.64) | DRD2HTR6HTR1AHTR2ADRD3 | |
| SCHEMBL4674919 | 0.79 | HTR6 (0.64) | DRD2HTR6HTR1AHTR2ADRD3 | |
| SCHEMBL13672065 | 0.77 | DRD2 (0.53) | DRD2ADRB1HTR1AHTR2ADRD3 | |
| SCHEMBL13672071 | 0.74 | DRD2 (0.41) | DRD2TSHRPDE3BPDE3A | |
| SCHEMBL31052166 | 0.71 | ADRB1 (0.57) | DRD2ADRB1HTR6HTR1AHTR2A | |
| SCHEMBL5363483 | 0.71 | ADRB1 (0.47) | DRD2ADRB1HTR6HTR1AHTR2A | |
| SCHEMBL10068900 | 0.69 | DRD2 (0.39) | DRD2TSHRPDE3BPDE3A | |
| SCHEMBL5371851 | 0.69 | ADRB1 (0.47) | DRD2ADRB1HTR6HTR1AHTR2A |
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-2015069110-A1 | MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS | AAPA B.V. (NL) | 2015-05-14 | — | — | WO | disclosed |
| WO-2015069110-A1 | MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS | AAPA B.V. (NL) | 2015-05-14 | — | — | WO | disclosed |