Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 16/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL7838025 | 0.80 | CCR5 (0.57) | CCR5CYP2D6 | |
| SCHEMBL12592397 | 0.80 | CCR5 (1.00) | CCR5KDM4EPKMTDP1CYP2D6 | |
| SCHEMBL7836739 | 0.76 | CCR5 (1.00) | CCR5 | |
| SCHEMBL12447338 | 0.74 | CCR5 (0.58) | CCR5CYP2D6KDM1A | |
| SCHEMBL2339101 | 0.74 | CCR5 (0.58) | CCR5CYP2D6KDM1A | |
| Hydrochloric Acid SCHEMBL5420675 | 0.73 | CCR5 (0.57) | CCR5CYP2D6KDM1A | |
| SCHEMBL7235649 | 0.71 | DRD2 (0.38) | CCR5 | |
| Hydrochloric Acid SCHEMBL7225129 | 0.70 | DRD2 (0.38) | CCR5 | |
| SCHEMBL7835509 | 0.70 | CCR5 (0.87) | CCR5 | |
| SCHEMBL7817814 | 0.69 | CCR5 (0.85) | CCR5 |
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 4 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 |
| US-6166037-A | Pyrrolidine and piperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2000-12-26 | — | — | US | 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 |