Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | WDR5 | P61964 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
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 SCHEMBL3527460 | 0.98 | ACLY (0.43) | ACLYCYP3A4CA2CA1WDR5 | |
| SCHEMBL3527898 | 0.84 | PDK2 (0.44) | ACLYCA2CA1PTGS1PTGS2 | |
| SCHEMBL13719782 | 0.84 | CA2 (0.43) | ACLYCA2CA1WDR5PTGS1 | |
| SCHEMBL13747717 | 0.83 | CA2 (0.39) | ACLYCA2CA1PTGS1PTGS2 | |
| SCHEMBL3526139 | 0.79 | PDK1 (0.53) | CA2CA1PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL3524383 | 0.78 | CCR2 (0.51) | ACLYCYP3A4WDR5CCR2AKR1C4 | |
| SCHEMBL3528027 | 0.75 | CA2 (0.44) | ACLYCA2CA1PTGS1PTGS2 | |
| SCHEMBL2080327 | 0.72 | CA2 (0.47) | ACLYCA2CA1PTGS1PTGS2 | |
| SCHEMBL2732048 | 0.71 | KMT2A (0.60) | CA2PTGS1PTGS2 | |
| SCHEMBL2080356 | 0.71 | LMNA (0.61) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |