Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19045063 | 0.77 | CCR5 (0.47) | CCR5 | |
| SCHEMBL15803574 | 0.77 | CCR5 (0.47) | CCR5 | |
| SCHEMBL26495374 | 0.77 | CCR5 (0.47) | CCR5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL24868622 | 0.77 | CCR5 (0.47) | CCR5 | |
| Hydrochloric Acid SCHEMBL18669859 | 0.74 | CCR5 (0.44) | CCR5 | |
| Hydrochloric Acid SCHEMBL25373822 | 0.74 | CCR5 (0.44) | CCR5 | |
| Hydrochloric Acid SCHEMBL29218094 | 0.74 | CCR5 (0.44) | CCR5 | |
| SCHEMBL25165362 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL22795906 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL24162636 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2742045-B1 | ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2019-01-23 | — | — | EP | disclosed |