Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.64 |
| ▸ | CA2 | P00918 | 2/20 | 0.64 |
| ▸ | CA7 | P43166 | 2/20 | 0.64 |
| ▸ | CA9 | Q16790 | 2/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.47 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10833567 | 0.92 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22820292 | 0.86 | KCNH2 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9808291 | 0.85 | KCNH2 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7510158 | 0.83 | KCNH2 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29950527 | 0.82 | CA1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13981325 | 0.82 | GRM5 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31673233 | 0.82 | CYP2A6 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1790840 | 0.81 | KCNH2 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1276464 | 0.81 | CYP1A2 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29952080 | 0.80 | CA1 (0.47) | CA12CA1CA2CA7CA9 |
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 |