Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR8 | P51685 | 8/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.49 |
| ▸ | USP2 | O75604 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5779040 | 0.95 | CCR8 (0.62) | CCR8KCNH2CYP2D6USP2TSHR | |
| SCHEMBL5397398 | 0.95 | CCR8 (0.68) | CCR8KCNH2CYP2D6USP2TSHR | |
| Trifluoroacetic Acid SCHEMBL5438180 | 0.92 | CCR8 (0.64) | CCR8KCNH2CYP2D6USP2TSHR | |
| Trifluoroacetic Acid SCHEMBL5426612 | 0.90 | CCR8 (0.62) | CCR8KCNH2CYP2D6USP2TSHR | |
| Trifluoroacetic Acid SCHEMBL5437501 | 0.90 | CCR8 (0.66) | CCR8KCNH2CYP2D6USP2TSHR | |
| Trifluoroacetic Acid SCHEMBL5434099 | 0.90 | CCR8 (0.66) | CCR8KCNH2CYP2D6USP2TSHR | |
| SCHEMBL5392214 | 0.90 | CCR8 (0.68) | CCR8KCNH2CYP2D6USP2TSHR | |
| Trifluoroacetic Acid SCHEMBL5437427 | 0.89 | CCR8 (0.68) | CCR8KCNH2CYP2D6USP2TSHR | |
| Trifluoroacetic Acid SCHEMBL5437360 | 0.89 | CCR8 (0.64) | CCR8KCNH2CYP2D6USP2TSHR | |
| Trifluoroacetic Acid SCHEMBL5428583 | 0.89 | CCR8 (0.64) | CCR8KCNH2CYP2D6USP2TSHR |
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 |