Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 8/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 8/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CUL4A | Q13619 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5232952 | 0.81 | DYRK1A (0.48) | DYRK1AHDAC1 | |
| SCHEMBL5159784 | 0.81 | DRD2 (0.41) | DYRK1AHDAC1CUL4ADRD2DRD4 | |
| SCHEMBL4948023 | 0.81 | HDAC1 (0.48) | DYRK1AHDAC1GABRA1GABRA5GABRG2 | |
| SCHEMBL5231361 | 0.74 | DYRK1A (0.44) | DYRK1AHDAC1SMN1; SMN2 | |
| SCHEMBL5233057 | 0.74 | CA2 (0.50) | DYRK1ANPC1RAB9ASMN1; SMN2CA2 | |
| SCHEMBL5201465 | 0.74 | RAB9A (0.46) | DYRK1AHDAC1NPC1RAB9ACUL4A | |
| SCHEMBL5198179 | 0.71 | HDAC3 (0.49) | DYRK1AHDAC1RAB9AHDAC6HDAC3 | |
| SCHEMBL5179222 | 0.70 | DYRK1A (0.45) | DYRK1ADRD2DRD4DRD3 | |
| SCHEMBL5237648 | 0.70 | STING1 (0.49) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL6728362 | 0.69 | CA2 (0.37) | LOXCA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1761524-B1 | PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS | SANOL ARZNEI SCHWARZ GMBH (DE) | 2007-11-21 | — | — | EP | disclosed |
| EP-1761524-A1 | PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS | SCHWARZ PHARMA AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006072430-A1 | PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS | SCHWARZ PHARMA AG (DE) | 2006-07-13 | — | — | WO | disclosed |