Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 16/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.51 |
| ▸ | CPT2 | P23786 | 1/20 | 0.48 |
| ▸ | CPT1A | P50416 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3987554 | 1.00 | CCR1 (0.66) | CCR1ALDH1A1USP30CPT2CPT1A | |
| SCHEMBL7311067 | 0.89 | CPT2 (0.61) | CCR1ALDH1A1USP30CPT2CPT1A | |
| SCHEMBL3984104 | 0.86 | CCR1 (0.67) | CCR1ALDH1A1CPT2CPT1APKM | |
| SCHEMBL3984106 | 0.86 | CCR1 (0.67) | CCR1ALDH1A1CPT2CPT1APKM | |
| SCHEMBL3981116 | 0.85 | CCR1 (0.57) | CCR1ALDH1A1USP30 | |
| SCHEMBL3981118 | 0.85 | CCR1 (0.57) | CCR1ALDH1A1USP30 | |
| SCHEMBL13769199 | 0.82 | ALDH1A1 (0.51) | CCR1ALDH1A1USP30 | |
| SCHEMBL31630412 | 0.81 | ALDH1A1 (0.47) | CCR1ALDH1A1USP30 | |
| SCHEMBL13769344 | 0.81 | ALDH1A1 (0.50) | CCR1ALDH1A1USP30 | |
| SCHEMBL3987624 | 0.81 | CCR1 (0.69) | CCR1CPT2CPT1APKMHTT |
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-2059502-A2 | PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2009-05-20 | — | — | EP | disclosed |
| WO-2008011392-A2 | PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION | LIGAND PHARMACUETICALS INCORPORATED (US) | 2008-01-24 | — | — | WO | disclosed |