Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 7/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7733272 | 0.85 | HTR2A (0.47) | CCR5KCNH2HTR2A | |
| SCHEMBL7732190 | 0.79 | HTR2A (0.49) | CCR5KCNH2GPR119HTR2ACYP2D6 | |
| Trifluoroacetic Acid SCHEMBL7723309 | 0.79 | TACR1 (0.46) | CCR5KCNH2GPR119MEN1KMT2A | |
| SCHEMBL7084347 | 0.70 | HTR2A (0.61) | CCR5KCNH2GPR119HTR2AMEN1 | |
| SCHEMBL11527157 | 0.70 | SIGMAR1 (0.54) | MEN1KMT2AALDH1A1CYP2D6 | |
| SCHEMBL7603229 | 0.69 | MEN1 (0.63) | CCR5KCNH2GPR119HTR2AMEN1 | |
| SCHEMBL11242069 | 0.67 | SIGMAR1 (0.41) | CCR5MEN1KMT2AALDH1A1CYP2D6 | |
| SCHEMBL5446431 | 0.67 | CCR5 (0.71) | CCR5KCNH2GPR119CYP2D6 | |
| SCHEMBL20596707 | 0.67 | DRD3 (0.31) | — | |
| SCHEMBL20596704 | 0.66 | DRD3 (0.32) | — |
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-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |
| WO-2000059497-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |