Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12806984 | 0.77 | NMT1 (0.43) | SLC6A2SLC6A4SLC6A3TRPM8CACNA1B | |
| SCHEMBL7661779 | 0.74 | GPR119 (0.54) | — | |
| SCHEMBL16757238 | 0.72 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3GRIN2BGBA1 | |
| SCHEMBL989955 | 0.71 | SLC6A2 (0.61) | SLC6A2SLC6A4SLC6A3CACNA1BGBA1 | |
| SCHEMBL3524345 | 0.71 | TAAR1 (0.47) | GRIN2BFFAR1FFAR4PLA2G4A | |
| SCHEMBL7663392 | 0.70 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3CACNA1BGBA1 | |
| SCHEMBL3581153 | 0.69 | GRIN2B (0.56) | SLC6A2SLC6A4SLC6A3GRIN2BGBA1 | |
| SCHEMBL12806995 | 0.69 | NMT1 (0.46) | SLC6A2SLC6A4SLC6A3TRPM8 | |
| SCHEMBL990020 | 0.68 | SLC6A2 (0.61) | SLC6A2SLC6A4SLC6A3CACNA1B | |
| SCHEMBL7659726 | 0.68 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CACNA1BGBA1 |
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-6498161-B1 | TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| WO-2000059498-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |