Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7732600 | 0.87 | SLC6A4 (0.48) | HTR2ACCR5SLC6A4SLC6A2KCNH2 | |
| Trifluoroacetic Acid SCHEMBL7723374 | 0.86 | EPHX1 (0.43) | HTR2AEPHX1CCR5KCNJ1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7668700 | 0.84 | HTR2A (0.48) | HTR2AEPHX1CCR5SLC6A4SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL7732700 | 0.83 | CCR5 (0.50) | HTR2ACCR5 | |
| SCHEMBL7731085 | 0.81 | CCR5 (0.42) | HTR2AEPHX1CCR5SLC6A2KCNH2 | |
| Hydrochloric Acid SCHEMBL7135396 | 0.79 | SLC6A4 (0.52) | HTR2ACCR5SLC6A4SLC6A2KCNH2 | |
| SCHEMBL13543037 | 0.78 | CCR5 (0.50) | CCR5SLC6A4SLC6A2KCNH2MEN1 | |
| Hydrochloric Acid SCHEMBL7664598 | 0.78 | EPHX1 (0.48) | HTR2AEPHX1CCR5L3MBTL1MEN1 | |
| Hydrochloric Acid SCHEMBL7131167 | 0.77 | CCR5 (0.51) | HTR2AEPHX1CCR5 | |
| SCHEMBL13543082 | 0.75 | CCR5 (0.53) | HTR2ACCR5SLC6A4KCNH2 |
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 |