Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 8/20 | 0.41 |
| ▸ | CTSS | P25774 | 4/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28943389 | 1.00 | SMN1; SMN2 (0.65) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL29739836 | 0.89 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL28765827 | 0.89 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL12438545 | 0.87 | CYP1A2 (0.72) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL22792779 | 0.84 | PPARA (0.51) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL13138386 | 0.84 | CYP1A2 (0.72) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8070420 | 0.81 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL13950543 | 0.81 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL12934327 | 0.81 | CYP1A2 (0.77) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL16626925 | 0.81 | CYP1A2 (0.64) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT |
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-114685330-B | Process for producing thio-ethylene compound | 华南理工大学 | 2024-09-10 | — | — | CN | disclosed |
| CN-114685330-A | Process for producing mercaptoethylene compound | 华南理工大学 | 2022-07-01 | — | — | CN | disclosed |