Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 9/20 | 0.42 |
| ▸ | HTR2A | P28223 | 8/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | UBE2M | P61081 | 1/20 | 0.39 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7723375 | 0.87 | CCR5 (0.43) | CCR5HTR2AEPHX1HRH3 | |
| SCHEMBL7732604 | 0.87 | CCR5 (0.51) | CCR5HTR2AHTR2CCYP1A2CYP2C19 | |
| SCHEMBL7732703 | 0.84 | CCR5 (0.53) | CCR5 | |
| Trifluoroacetic Acid SCHEMBL7731077 | 0.81 | HTR2A (0.44) | CCR5HTR2AKCNH2EPHX1DCUN1D1 | |
| SCHEMBL7733272 | 0.76 | HTR2A (0.47) | CCR5HTR2AHTR2CCYP1A2CYP2C19 | |
| SCHEMBL8095172 | 0.71 | CCR5 (0.42) | CCR5 | |
| Hydrochloric Acid SCHEMBL7668700 | 0.70 | HTR2A (0.48) | CCR5HTR2AKCNH2EPHX1SLC6A2 | |
| SCHEMBL7773992 | 0.69 | ALDH1A1 (0.51) | EPHX1 | |
| Trifluoroacetic Acid SCHEMBL7732600 | 0.68 | SLC6A4 (0.48) | CCR5HTR2AKCNH2DCUN1D1SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL7723374 | 0.67 | EPHX1 (0.43) | CCR5HTR2AEPHX1 |
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 |