Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.65 |
| ▸ | TACR2 | P21452 | 13/20 | 0.41 |
| ▸ | TACR1 | P25103 | 13/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13545381 | 0.95 | CCR5 (0.58) | CCR5TACR2TACR1CA12CA1 | |
| SCHEMBL14420463 | 0.91 | CCR5 (0.56) | CCR5TACR2TACR1TACR3HRH1 | |
| SCHEMBL14420418 | 0.88 | CCR5 (0.49) | CCR5TACR2TACR1CA12CA1 | |
| SCHEMBL13545380 | 0.86 | CCR5 (0.51) | CCR5TACR2TACR1TACR3HRH1 | |
| SCHEMBL14144613 | 0.85 | TACR2 (0.51) | CCR5TACR2TACR1TACR3HRH1 | |
| SCHEMBL14420442 | 0.84 | CCR5 (0.66) | CCR5TACR2TACR1CA12CA1 | |
| SCHEMBL14144595 | 0.83 | TACR2 (0.48) | CCR5TACR2TACR1CA12CA1 | |
| SCHEMBL14420429 | 0.81 | CCR5 (0.61) | CCR5TACR2TACR1CA12CA1 | |
| SCHEMBL13545405 | 0.80 | CCR5 (0.60) | CCR5TACR2TACR1CA12CA1 | |
| SCHEMBL14420448 | 0.80 | TACR2 (0.47) | CCR5TACR2TACR1TACR3HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |