Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.52 |
| ▸ | DRD3 | P35462 | 4/20 | 0.52 |
| ▸ | HTR2A | P28223 | 4/20 | 0.52 |
| ▸ | HTR3A | P46098 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6208140 | 0.86 | DRD2 (0.72) | DRD2DRD3HTR2AHTR3ACHRM2 | |
| SCHEMBL3290253 | 0.86 | DRD2 (0.52) | DRD2DRD3HTR2AHTR1AHTR7 | |
| SCHEMBL3285852 | 0.84 | DRD2 (0.72) | DRD2DRD3HTR2AHTR3AHTR1A | |
| SCHEMBL6210789 | 0.83 | DRD3 (0.55) | DRD2DRD3HTR2AHTR3ACYP1A2 | |
| SCHEMBL6210382 | 0.82 | DRD2 (0.66) | DRD2DRD3HTR2AHTR3ACHRM2 | |
| SCHEMBL6208967 | 0.71 | DRD3 (0.72) | DRD2DRD3HTR2AHTR3ACHRM2 | |
| SCHEMBL6208249 | 0.71 | DRD3 (0.72) | DRD2DRD3HTR2AHTR3ACHRM1 | |
| SCHEMBL3286899 | 0.69 | DRD3 (1.00) | DRD2DRD3HTR2ACYP2D6CHRM2 | |
| SCHEMBL9377234 | 0.68 | DRD2 (1.00) | DRD2DRD3HTR2AHTR3ACYP1A2 | |
| SCHEMBL3413993 | 0.65 | DRD2 (0.82) | DRD2DRD3HTR2AHTR3ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1745054-B1 | DEALKYLATED DERIVATIVES OF PYRROLO(2,1-B)BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA TAU IND FARMACEUTI (IT) | 2008-11-19 | — | — | EP | disclosed |