Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| SCHEMBL28783598 | 0.80 | CYP1A2 (0.57) | SIGMAR1PDPK1CYP1A2CYP2A6HDAC1 | |
| SCHEMBL28345992 | 0.78 | ALDH1A1 (0.50) | ALDH1A1FFAR1 | |
| SCHEMBL31061398 | 0.75 | CYP1A2 (0.55) | SIGMAR1PDPK1CYP1A2CYP2A6HDAC1 | |
| SCHEMBL28345919 | 0.75 | TAAR1 (0.50) | CYP1A2IDO1ALDH1A1HDAC1HDAC8 | |
| SCHEMBL3941591 | 0.75 | PDPK1 (0.57) | SIGMAR1PDPK1CYP1A2CYP2A6HDAC1 | |
| SCHEMBL28345940 | 0.74 | AOC3 (0.56) | SIGMAR1IDO1HDAC1HRH3 | |
| SCHEMBL5236795 | 0.74 | CYP1A2 (0.68) | SIGMAR1PDPK1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL28346001 | 0.73 | TAAR1 (0.57) | SIGMAR1PYCR1 | |
| SCHEMBL6240981 | 0.73 | CYP1A2 (0.65) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL29560700 | 0.73 | CYP1A2 (0.65) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 |
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-111960962-B | Nickel-catalyzed alpha-alkylation method of acetamide and thioacetamide | 山东师范大学 | 2023-03-07 | — | — | CN | disclosed |
| CN-111960962-A | Nickel-catalyzed alpha-alkylation method of acetamide and thioacetamide | 山东师范大学 | 2020-11-20 | — | — | CN | disclosed |