Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 7/20 | 0.59 |
| ▸ | RORC | P51449 | 3/20 | 0.58 |
| ▸ | GBA1 | P04062 | 1/20 | 0.56 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12303453 | 1.00 | CCR5 (0.59) | CCR5RORCGBA1FUCA1KDM1A | |
| SCHEMBL1439676 | 0.92 | RORC (0.56) | CCR5RORCGBA1FUCA1 | |
| SCHEMBL1440408 | 0.92 | RORC (0.56) | CCR5RORCGBA1FUCA1 | |
| SCHEMBL1443542 | 0.92 | RORC (0.56) | CCR5RORCGBA1FUCA1 | |
| SCHEMBL3650757 | 0.90 | RORC (0.55) | CCR5RORCGBA1FUCA1 | |
| SCHEMBL7817708 | 0.88 | GBA1 (0.63) | CCR5RORCGBA1FUCA1KDM1A | |
| SCHEMBL417494 | 0.88 | GBA1 (0.63) | CCR5RORCGBA1FUCA1KDM1A | |
| SCHEMBL5235973 | 0.88 | GBA1 (0.63) | CCR5RORCGBA1FUCA1KDM1A | |
| SCHEMBL1507427 | 0.87 | RORC (0.52) | CCR5RORCGBA1FUCA1KDM1A | |
| SCHEMBL3245751 | 0.85 | RORC (0.50) | CCR5RORCGBA1FUCA1S1PR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1009405-A4 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2001-05-09 | — | — | EP | disclosed |
| EP-1009405-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999009984-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |