Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.63 |
| ▸ | DRD4 | P21917 | 1/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.61 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.60 |
| ▸ | CCR3 | P51677 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 2/20 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6747206 | 0.86 | CXCR4 (0.65) | CXCR4CCR3BCHEACHE | |
| SCHEMBL7500684 | 0.85 | BCHE (0.59) | CXCR4CCR3BCHEACHE | |
| SCHEMBL6993451 | 0.85 | SIGMAR1 (0.67) | DRD2DRD4SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9537230 | 0.84 | BCHE (0.63) | CXCR4CCR3BCHEACHE | |
| SCHEMBL28294049 | 0.84 | SIGMAR1 (0.60) | DRD2DRD4SIGMAR1BCHEACHE | |
| SCHEMBL10204064 | 0.84 | CES2 (0.50) | DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL8825453 | 0.83 | BCHE (0.62) | CXCR4CCR3BCHEACHE | |
| SCHEMBL15338755 | 0.83 | CXCR4 (0.61) | CXCR4CCR3BCHEACHE | |
| SCHEMBL4854037 | 0.83 | GAA (0.64) | CXCR4CCR3BCHEACHE | |
| SCHEMBL4505679 | 0.83 | ACHE (0.63) | CXCR4CCR3BCHEACHE |
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-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |