Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.57 |
| ▸ | USP2 | O75604 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | CCR8 | P51685 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5307160 | 0.87 | CCR8 (0.58) | CYP2D6USP2TSHRCCR8KCNH2 | |
| SCHEMBL5436635 | 0.85 | CYP2D6 (0.76) | CYP2D6USP2TSHRCHRM2CHRM3 | |
| SCHEMBL4234286 | 0.81 | CCR8 (0.65) | CYP2D6USP2TSHRCCR8KCNH2 | |
| SCHEMBL4194050 | 0.80 | CYP2D6 (0.69) | CYP2D6USP2TSHRCCR8KCNH2 | |
| SCHEMBL5394015 | 0.77 | CYP2D6 (0.68) | CYP2D6USP2TSHRCHRM2CHRM3 | |
| SCHEMBL5400387 | 0.77 | CYP2D6 (0.64) | CYP2D6USP2TSHRCHRM2CHRM3 | |
| SCHEMBL118654 | 0.76 | CYP1A2 (0.50) | CYP2D6USP2SMN1; SMN2 | |
| SCHEMBL14371977 | 0.76 | CYP2D6 (0.60) | CYP2D6USP2TSHRCHRM2CHRM3 | |
| SCHEMBL12526355 | 0.76 | CYP2D6 (0.69) | CYP2D6USP2TSHRCHRM2CHRM3 | |
| Trifluoroacetic Acid SCHEMBL5431336 | 0.75 | CCR8 (0.62) | CYP2D6USP2TSHRCHRM2CHRM3 |
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-1678178-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | AstraZeneca AB (SE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005040167-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2005-05-06 | — | — | WO | disclosed |