Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | DRD1 | P21728 | 3/20 | 0.49 |
| ▸ | DRD5 | P21918 | 3/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | PLG | P00747 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12209560 | 0.86 | HRH3 (0.81) | HRH3CYP2D6PARP1HTR2CF10 | |
| SCHEMBL12209615 | 0.86 | HRH3 (0.65) | HRH3CYP2D6DRD1DRD2PARP1 | |
| SCHEMBL8055535 | 0.86 | HRH3 (0.68) | HRH3HTR2CHRH1IKBKB | |
| SCHEMBL5375403 | 0.84 | HRH3 (0.70) | HRH3CYP2D6PARP1HTR2CHRH1 | |
| SCHEMBL3077588 | 0.83 | HRH3 (0.95) | HRH3CYP2D6 | |
| SCHEMBL3085867 | 0.83 | HRH3 (1.00) | HRH3CYP2D6 | |
| SCHEMBL4918216 | 0.82 | HRH3 (0.64) | HRH3CYP2D6HTR2CHRH1F10 | |
| SCHEMBL3085870 | 0.81 | HRH3 (0.62) | HRH3CYP2D6PARP1HTR2CHRH1 | |
| SCHEMBL8044217 | 0.81 | HRH3 (0.59) | HRH3CYP2D6HTR2CF10PLG | |
| SCHEMBL373315 | 0.80 | HRH3 (0.61) | HRH3CYP2D6HTR2CF10PLG |
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-2610258-A1 | Substituted piperidino dihydrothieno pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-03 | — | — | EP | disclosed |