Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.50 |
| ▸ | DRD4 | P21917 | 7/20 | 0.50 |
| ▸ | DRD3 | P35462 | 7/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5498490 | 0.85 | NOS3 (0.49) | DRD2DRD4DRD3HTR1AGPR55 | |
| SCHEMBL8625514 | 0.84 | CYP11B1 (0.50) | DRD2DRD4DRD3HTR1AKCNH2 | |
| SCHEMBL5973289 | 0.82 | HTR1A (0.50) | DRD2DRD4DRD3HTR1AGPR55 | |
| SCHEMBL7395929 | 0.80 | HTR1A (0.48) | DRD2DRD4DRD3HTR1AGPR55 | |
| SCHEMBL1582822 | 0.79 | CYP11B1 (0.59) | DRD2DRD4DRD3HTR1AGPR55 | |
| SCHEMBL4197241 | 0.79 | DRD2 (0.52) | DRD2DRD4DRD3HTR1AGPR55 | |
| SCHEMBL16135138 | 0.79 | GPR55 (0.59) | DRD2DRD4DRD3HTR1AGPR55 | |
| SCHEMBL10528007 | 0.79 | DRD2 (0.52) | DRD2DRD4DRD3HTR1AGPR55 | |
| SCHEMBL7393289 | 0.79 | DRD2 (0.52) | DRD2DRD4DRD3GPR55CYP11B1 | |
| SCHEMBL15605482 | 0.77 | KCNH2 (0.67) | DRD2DRD4DRD3HTR1AKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5767132-A | CENTRAL NERVOUS SYSTEM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-06-16 | — | — | US | claimed |
| EP-1408964-B1 | USE OF 2- 5-(4-FLUOROPHENYL)-3-PYRIDYLMETHYLAMINOMETHYL|-CHROMANE AND ITS PHYSIOLOGICALLY ACCEPTABLE SALTS | MERCK PATENT GMBH (DE) | 2007-01-24 | — | — | EP | disclosed |
| US-5767132-A | CENTRAL NERVOUS SYSTEM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-06-16 | — | — | US | disclosed |