Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 19/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1670670 | 0.84 | CCR1 (0.63) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL1670354 | 0.81 | CCR1 (0.68) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL1670833 | 0.81 | CCR1 (0.71) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL1671135 | 0.80 | CCR1 (0.65) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL1670476 | 0.80 | CCR1 (0.65) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL1672930 | 0.79 | CCR1 (0.68) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL1670759 | 0.79 | CCR1 (0.79) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL1670109 | 0.78 | CCR1 (0.63) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL12800016 | 0.78 | CCR1 (0.59) | CCR1KCNH2ADRB1CYP3A4 | |
| SCHEMBL1670131 | 0.78 | CCR1 (0.72) | CCR1KCNH2ADRB1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011049917-A1 | INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-28 | — | — | WO | disclosed |