Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.72 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4692562 | 0.89 | TAAR1 (0.58) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| Hydrochloric Acid SCHEMBL5200363 | 0.87 | TAAR1 (0.56) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL247628 | 0.84 | TAAR1 (1.00) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL5005843 | 0.84 | TAAR1 (1.00) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL5351663 | 0.84 | TAAR1 (1.00) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL8995001 | 0.83 | TAAR1 (0.73) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| Hydrochloric Acid SCHEMBL1669712 | 0.82 | TAAR1 (0.95) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL3729576 | 0.82 | SLC6A2 (0.67) | TAAR1SLC6A4SLC6A3SLC6A2CYP3A4 | |
| SCHEMBL12122150 | 0.81 | TAAR1 (0.64) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL8953218 | 0.80 | TAAR1 (0.69) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2004048317-A1 | SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |