Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | CASR | P41180 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30849685 | 1.00 | TAAR1 (0.53) | TAAR1ABCB1HTR1ADRD2CASR | |
| SCHEMBL21002046 | 0.92 | AOC3 (0.57) | TAAR1CASRCHRM2CHRM1CHRM3 | |
| SCHEMBL7169569 | 0.91 | AOC3 (0.56) | CASRCHRM2CHRM1CHRM3AOC3 | |
| SCHEMBL7713131 | 0.85 | TAAR1 (0.57) | TAAR1ABCB1HTR1ADRD2CASR | |
| SCHEMBL11819483 | 0.84 | TAAR1 (0.49) | TAAR1ABCB1HTR1ADRD2CASR | |
| SCHEMBL10235922 | 0.83 | ALDH1A1 (0.47) | CYP2D6L3MBTL1 | |
| SCHEMBL5355730 | 0.83 | ALDH1A1 (0.57) | HTR1AAOC3 | |
| SCHEMBL5631116 | 0.83 | ALDH1A1 (0.57) | HTR1AAOC3 | |
| SCHEMBL14839516 | 0.83 | TDP1 (0.60) | HTR1ACASR | |
| SCHEMBL10719053 | 0.82 | ADRB2 (0.69) | CHRM2CHRM1CHRM3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6358985-B1 | ANTICANCER AGENT | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |
| EP-1091736-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-10-24 | — | — | EP | disclosed |
| EP-1091736-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001382-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |