Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 2/20 | 0.40 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 6/20 | 0.38 |
| ▸ | DRD4 | P21917 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL7868380 | 1.00 | CCR5 (0.42) | CCR5SIGMAR1RORCFUCA1DRD2 | |
| SCHEMBL7868383 | 1.00 | CCR5 (0.42) | CCR5SIGMAR1RORCFUCA1DRD2 | |
| SCHEMBL14224261 | 0.85 | CCR5 (0.50) | CCR5SIGMAR1RORCFUCA1DRD2 | |
| SCHEMBL4105592 | 0.85 | CCR5 (0.50) | CCR5SIGMAR1RORCFUCA1DRD2 | |
| SCHEMBL5266055 | 0.85 | CCR5 (0.50) | CCR5SIGMAR1RORCFUCA1DRD2 | |
| SCHEMBL7817702 | 0.85 | CCR5 (0.50) | CCR5SIGMAR1RORCFUCA1DRD2 | |
| SCHEMBL7827978 | 0.85 | CCR5 (0.50) | CCR5SIGMAR1RORCFUCA1DRD2 | |
| SCHEMBL7869817 | 0.79 | ALDH1A1 (0.33) | DRD2DRD3 | |
| SCHEMBL7863201 | 0.79 | ALDH1A1 (0.33) | DRD2DRD3 | |
| SCHEMBL6823492 | 0.79 | KDM4E (0.45) | SIGMAR1RORCS1PR1S1PR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |