Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6311368 | 0.78 | CHRNB2 (0.49) | CHRNB2CHRNA4PDE3BPDE3APDE10A | |
| SCHEMBL21620973 | 0.76 | LTA4H (0.58) | HTR1AHTR7KDM4EL3MBTL1KMT2A | |
| SCHEMBL12642591 | 0.76 | CHRNB2 (0.57) | CHRNB2CHRNA4DRD2DRD3KDM1A | |
| SCHEMBL24521960 | 0.75 | CHRNB2 (0.54) | CHRNB2CHRNA4PDE3BPDE3APDE10A | |
| SCHEMBL6311327 | 0.75 | CHRNB2 (0.54) | CHRNB2CHRNA4PDE3BPDE3APDE10A | |
| SCHEMBL6306245 | 0.75 | CHRNB2 (0.54) | CHRNB2CHRNA4PDE3BPDE3APDE10A | |
| SCHEMBL7237136 | 0.73 | CHRNB2 (0.55) | CHRNB2CHRNA4PDE3BPDE3APDE10A | |
| SCHEMBL7530388 | 0.73 | CHRNB2 (0.55) | CHRNB2CHRNA4PDE3BPDE3APDE10A | |
| SCHEMBL14426319 | 0.71 | KDM4E (0.78) | HTR1AHTR7KDM4EL3MBTL1KMT2A | |
| SCHEMBL10262282 | 0.71 | SLC6A2 (0.55) | — |
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-3233077-A1 | DOPAMINE D2 RECEPTOR LIGANDS | The Broad Institute Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016100940-A1 | DOPAMINE D2 RECEPTOR LIGANDS | THE BROAD INSTITUTE, INC. (US) | 2016-06-23 | — | — | WO | disclosed |