Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 7/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6439138 | 0.86 | ABCB1 (0.48) | ABCB1PPARGPPARANPSR1CTSS | |
| SCHEMBL26647713 | 0.86 | CTSS (0.47) | KEAP1NFE2L2CTSSCTSKCYP1A2 | |
| SCHEMBL12732987 | 0.86 | ABCB1 (0.53) | ABCB1PPARGPPARANPSR1CTSS | |
| SCHEMBL1573516 | 0.86 | KEAP1 (0.51) | PPARGPPARAKEAP1NFE2L2CTSS | |
| SCHEMBL15165758 | 0.86 | KEAP1 (0.51) | PPARGPPARAKEAP1NFE2L2CTSS | |
| SCHEMBL5862225 | 0.86 | KEAP1 (0.51) | PPARGPPARAKEAP1NFE2L2CTSS | |
| SCHEMBL23205818 | 0.85 | PPARG (0.47) | PPARGPPARAKEAP1NFE2L2CTSS | |
| SCHEMBL12732988 | 0.85 | ABCB1 (0.52) | ABCB1PPARGPPARANPSR1CTSS | |
| SCHEMBL20521905 | 0.85 | PPARG (0.47) | PPARGPPARAKEAP1NFE2L2CTSS | |
| SCHEMBL6513379 | 0.85 | KEAP1 (0.42) | ABCB1PPARGPPARAKEAP1NFE2L2 |
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-7041667-B1 | CCR5 modulators | PFIZER, INC. (US) | 2006-05-09 | — | — | US | disclosed |
| EP-1013276-A1 | Aminoazacycloalkanes as CCR5 modulators | PFIZER INC. (US) | 2000-06-28 | — | — | EP | disclosed |