Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.57 |
| ▸ | USP2 | O75604 | 4/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.55 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.55 |
| ▸ | CCR8 | P51685 | 8/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5401889 | 0.95 | CYP2D6 (0.63) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5431198 | 0.92 | CYP2D6 (0.60) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5431336 | 0.91 | CCR8 (0.62) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5436926 | 0.90 | CYP2D6 (0.58) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5433691 | 0.90 | CYP2D6 (0.62) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5431280 | 0.89 | CYP2D6 (0.61) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5437756 | 0.89 | CYP2D6 (0.61) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5432464 | 0.88 | CCR8 (0.70) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5437437 | 0.88 | USP2 (0.65) | CYP2D6USP2CHRM2CHRM3CCR8 | |
| Trifluoroacetic Acid SCHEMBL5431551 | 0.88 | TSHR (0.59) | CYP2D6USP2CHRM2CHRM3CCR8 |
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 |