Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 9/20 | 0.51 |
| ▸ | UBE2M | P61081 | 9/20 | 0.44 |
| ▸ | DCUN1D1 | Q96GG9 | 9/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7731085 | 0.87 | CCR5 (0.42) | CCR5UBE2MDCUN1D1CYP1A2HTR2A | |
| Trifluoroacetic Acid SCHEMBL7732600 | 0.80 | SLC6A4 (0.48) | CCR5DCUN1D1SLC2A1HTR2AKCNH2 | |
| SCHEMBL7733272 | 0.78 | HTR2A (0.47) | CCR5CYP1A2HTR2AHTR2CCYP2C19 | |
| Hydrochloric Acid SCHEMBL7135396 | 0.76 | SLC6A4 (0.52) | CCR5DCUN1D1HTR2AKCNH2 | |
| SCHEMBL7734264 | 0.75 | F2 (0.47) | — | |
| SCHEMBL340512 | 0.74 | PKM (0.65) | CCR5CYP1A2HTR2AHTR2CCYP2C19 | |
| SCHEMBL7723375 | 0.72 | CCR5 (0.43) | CCR5HTR2A | |
| SCHEMBL341620 | 0.72 | PKM (0.57) | CCR5CYP1A2HTR2AHTR2CCYP2C19 | |
| SCHEMBL7668796 | 0.71 | CCR5 (0.51) | CCR5 | |
| SCHEMBL4920022 | 0.71 | ALDH1A1 (0.52) | HTR2AHTR2CHTR2B |
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 1 patent. 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 |