Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.70 |
| ▸ | HTR1A | P08908 | 4/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 5/20 | 0.47 |
| ▸ | DRD4 | P21917 | 5/20 | 0.47 |
| ▸ | DRD3 | P35462 | 5/20 | 0.47 |
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | DRD5 | P21918 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4967517 | 0.82 | CA2 (0.75) | CA2HTR1ADRD2DRD4DRD3 | |
| SCHEMBL439319 | 0.82 | CA2 (1.00) | CA2HTR1AHTR1D | |
| SCHEMBL8864198 | 0.78 | DRD2 (0.72) | HTR1ADRD2DRD4DRD3DRD1 | |
| SCHEMBL5640879 | 0.78 | DRD2 (0.72) | HTR1ADRD2DRD4DRD3DRD1 | |
| SCHEMBL8864160 | 0.78 | DRD2 (0.72) | HTR1ADRD2DRD4DRD3DRD1 | |
| Bromide SCHEMBL6281511 | 0.77 | DRD2 (0.70) | HTR1ADRD2DRD4DRD3DRD1 | |
| SCHEMBL9153669 | 0.75 | HTR1A (0.66) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL9153673 | 0.75 | HTR1A (0.66) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL4935025 | 0.75 | CA2 (0.60) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL10080389 | 0.74 | CA2 (0.67) | CA2HTR1ASIGMAR1ADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1383763-A2 | METHOD FOR PRODUCING 2- -5-(4-FLUOROPHENYL)-3-PYRIDYLMETHYLAMINOMETHYL]-CHROMANE | MERCK PATENT GmbH (DE) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002088117-A2 | METHOD FOR PRODUCING 2-[-5-(4-FLUOROPHENYL)-3-PYRIDYLMETHYLAMINOMETHYL]-CHROMANE | MERCK PATENT GMBH (DE) | 2002-11-07 | — | — | WO | disclosed |