Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 12/20 | 0.61 |
| ▸ | DRD2 | P14416 | 4/20 | 0.57 |
| ▸ | DRD3 | P35462 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4316173 | 0.88 | DRD4 (0.66) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL5666675 | 0.85 | DRD4 (0.63) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL12610546 | 0.83 | DRD4 (0.60) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL4314891 | 0.82 | DRD4 (0.59) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| Oxalic Acid SCHEMBL27081684 | 0.81 | DRD4 (0.64) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL9684231 | 0.81 | DRD4 (0.58) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL7366530 | 0.81 | DRD4 (0.57) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL352001 | 0.80 | DRD4 (0.71) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL1877824 | 0.80 | DRD4 (0.71) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL4690091 | 0.80 | DRD4 (0.71) | DRD4DRD2DRD3CYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |