Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.41 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.38 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.38 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.38 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28345908 | 0.84 | SMN1; SMN2 (0.44) | CYP2A6TAAR1ALDH1A1 | |
| SCHEMBL28345992 | 0.82 | ALDH1A1 (0.50) | TAAR1FFAR1TDP1ALDH1A1 | |
| SCHEMBL28343165 | 0.79 | F2RL1 (0.54) | TAAR1FFAR1SLC5A1SLC5A2ALDH1A1 | |
| SCHEMBL28345957 | 0.79 | KCNH2 (0.50) | KCNH2 | |
| SCHEMBL28345919 | 0.78 | TAAR1 (0.50) | CYP1A2TAAR1TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL28345915 | 0.78 | TAAR1 (0.47) | TAAR1FFAR1PLAAT3PLAAT5PLAAT2 | |
| SCHEMBL28480128 | 0.77 | FFAR1 (0.52) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL7797805 | 0.76 | FFAR1 (0.51) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL22059371 | 0.76 | CYP1A2 (0.43) | CYP1A2CYP2A6TAAR1FFAR1TDP1 | |
| SCHEMBL28499656 | 0.73 | SIGMAR1 (0.54) | CYP1A2CYP2A6FFAR1ALDH1A1IDO1 |
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-110590627-B | Synthesis method of 3-aryl thiopropionamide derivative | 温州大学 | 2022-01-14 | — | — | CN | disclosed |
| CN-110590627-A | Synthesis method of 3-aryl thiopropionamide derivative | 温州大学 | 2019-12-20 | — | — | CN | disclosed |