Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.46 |
| ▸ | CCR5 | P51681 | 9/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7733264 | 0.84 | HTR2A (0.46) | TACR1CCR5MEN1KMT2ASLC6A4 | |
| SCHEMBL4164384 | 0.80 | MEN1 (0.56) | TACR1CCR5MEN1KMT2ASLC6A4 | |
| SCHEMBL7723311 | 0.79 | CCR5 (0.49) | CCR5MEN1KMT2AKCNH2GPR119 | |
| Trifluoroacetic Acid SCHEMBL7732183 | 0.78 | SLC6A4 (0.54) | TACR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3556747 | 0.78 | MEN1 (0.56) | TACR1CCR5MEN1KMT2ASLC6A4 | |
| SCHEMBL4027887 | 0.77 | L3MBTL1 (0.57) | CCR5MEN1KMT2ASLC6A4KCNH2 | |
| SCHEMBL4158712 | 0.73 | MEN1 (0.54) | CCR5MEN1KMT2ASLC6A4KCNH2 | |
| Trifluoroacetic Acid SCHEMBL18428991 | 0.73 | SLC6A4 (0.42) | TACR1SLC6A4KCNH2SLC6A2SLC6A3 | |
| SCHEMBL2769377 | 0.72 | KCNH2 (0.61) | CCR5MEN1KMT2AKCNH2GPR119 | |
| SCHEMBL4158615 | 0.71 | CCR5 (0.59) | CCR5MEN1KMT2ASLC6A4KCNH2 |
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 |