Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CPS1 | P31327 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL765606 | 0.82 | CYP2D6 (0.62) | CYP2D6HTR2ASLC6A4KCNH2CYP1A2 | |
| SCHEMBL28745848 | 0.78 | CPS1 (0.42) | CYP2D6CYP1A2CYP1A1CYP1B1CPS1 | |
| SCHEMBL28769240 | 0.78 | ADRA2A (0.41) | CYP2D6HTR2ACYP1A2CYP1A1CYP1B1 | |
| SCHEMBL27778333 | 0.78 | CYP1A2 (0.41) | CYP2D6HTR2ASLC6A4KCNH2CYP1A2 | |
| SCHEMBL27758591 | 0.78 | ALDH1A1 (0.40) | CPS1MTNR1AMTNR1B | |
| SCHEMBL31063437 | 0.77 | CA12 (0.45) | CYP2D6CYP1A2CYP1A1CYP1B1CPS1 | |
| SCHEMBL8241491 | 0.77 | CA12 (0.45) | CYP2D6CYP1A2CYP1A1CYP1B1CPS1 | |
| Ammonia Solution, Strong SCHEMBL7990378 | 0.76 | CYP1A2 (0.42) | CYP2D6CYP1A2CYP1A1CYP1B1CPS1 | |
| SCHEMBL28056382 | 0.76 | CYP1A2 (0.42) | CYP2D6CYP1A2CYP1A1CYP1B1CPS1 | |
| SCHEMBL23123470 | 0.74 | PDE2A (0.53) | CYP2D6HTR2ASLC6A4CYP1A2CYP1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101506203-B | 2- (pyrazin-2-yl) -thiazole and 2- (1h-pyraz0l-3-yl) -thiazole derivatives as well as related compounds as stearoyl-coa desaturase (scd) inhibitors for the treatment of metabolic, cardiovascular and other syndromes | NOVARTIS AG | 2013-10-16 | — | — | CN | disclosed |
| CN-101506203-A | 2- (pyrazin-2-yl) -thiazole and 2- (1h-pyraz0l-3-yl) -thiazole derivatives as well as related compounds as stearoyl-coa desaturase (scd) inhibitors for the treatment of metabolic, cardiovascular and o | NOVARTIS AG (CH) | 2009-08-12 | — | — | CN | disclosed |