Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.35 |
| ▸ | IL1B | P01584 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7834134 | 0.85 | CCR5 (0.45) | CCR5CYP2D6CYP3A4P2RX7IL1B | |
| SCHEMBL7844030 | 0.80 | P2RX7 (0.38) | CYP3A4P2RX7IL1B | |
| Hydrochloric Acid SCHEMBL7847822 | 0.79 | P2RX7 (0.38) | CYP3A4P2RX7IL1B | |
| SCHEMBL7835611 | 0.78 | CCR5 (0.46) | CCR5CYP2D6CYP3A4 | |
| SCHEMBL7835350 | 0.76 | CYP2D6 (0.44) | CCR5CYP2D6 | |
| SCHEMBL7845819 | 0.74 | CCR5 (0.44) | CCR5CYP2D6CYP3A4 | |
| SCHEMBL7497419 | 0.74 | — | — | |
| SCHEMBL7834484 | 0.69 | — | — | |
| SCHEMBL4134368 | 0.66 | CCR5 (0.54) | CCR5CYP2D6 | |
| SCHEMBL7844278 | 0.65 | CCR5 (0.48) | CCR5CYP2D6 |
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-1996033196-A1 | INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 1996-10-24 | — | — | WO | claimed |