Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4644010 | 0.83 | GABRA1 (0.42) | PNMTTSHRTRPA1ALDH1A1TAAR1 | |
| SCHEMBL348159 | 0.78 | ALDH1A1 (0.61) | PNMTTSHRTRPA1ALDH1A1TAAR1 | |
| SCHEMBL2213709 | 0.78 | ALDH1A1 (0.61) | PNMTTSHRTRPA1ALDH1A1TAAR1 | |
| SCHEMBL16935063 | 0.77 | TRPA1 (0.44) | PNMTTSHRTRPA1ALDH1A1TAAR1 | |
| SCHEMBL7489958 | 0.76 | PNMT (0.69) | PNMTTSHRTAAR1SIGMAR1SLC6A2 | |
| SCHEMBL7716726 | 0.76 | CYP1A1 (0.40) | PNMTTSHRTRPA1ALDH1A1TAAR1 | |
| SCHEMBL1241836 | 0.75 | ALDH1A1 (0.42) | TSHRTRPA1ALDH1A1TAAR1SIGMAR1 | |
| SCHEMBL1124990 | 0.74 | PLA2G10 (0.47) | — | |
| SCHEMBL28256737 | 0.74 | HTR2A (0.51) | PNMTTSHRTAAR1SIGMAR1SLC6A2 | |
| SCHEMBL25388789 | 0.73 | TSHR (0.41) | PNMTTSHRTRPA1ALDH1A1TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453815-A4 | METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1453815-A1 | METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS | Merck & Co., Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003048137-A1 | METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS | MERCK & CO., INC. (US) | 2003-06-12 | — | — | WO | disclosed |