Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 14/20 | 0.47 |
| ▸ | CCR5 | P51681 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | GPR183 | P32249 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 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 | |
|---|---|---|---|---|
| SCHEMBL7723311 | 0.85 | CCR5 (0.49) | HTR2ACCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL7733264 | 0.80 | HTR2A (0.46) | HTR2ACCR5KCNH2P2RX7SLC6A2 | |
| SCHEMBL7732604 | 0.78 | CCR5 (0.51) | HTR2ACCR5CYP1A2HTR2CCYP2C19 | |
| SCHEMBL7731085 | 0.76 | CCR5 (0.42) | HTR2ACCR5CYP1A2HTR2CCYP2C19 | |
| SCHEMBL7723375 | 0.71 | CCR5 (0.43) | HTR2ACCR5HRH3 | |
| SCHEMBL7736000 | 0.70 | CCR5 (0.51) | CCR5KCNH2DRD3 | |
| SCHEMBL7732190 | 0.69 | HTR2A (0.49) | HTR2ACCR5CYP2C19KCNH2P2RX7 | |
| SCHEMBL22361694 | 0.69 | HTR2A (0.65) | HTR2ACYP1A2HTR2CCYP2C19KCNH2 | |
| SCHEMBL14446775 | 0.66 | CCR5 (0.60) | HTR2ACCR5 | |
| SCHEMBL20766692 | 0.66 | HTR2A (0.60) | HTR2ACYP1A2HTR2CCYP2C19KCNH2 |
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 |