Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAD | P27708 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PPID | Q08752 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13195777 | 1.00 | CAD (0.44) | CADHTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28879483 | 0.84 | L3MBTL1 (0.49) | CADHTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13195868 | 0.84 | L3MBTL1 (0.49) | CADHTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12987950 | 0.81 | ECE1 (0.44) | KMT2AALDH1A1ECE1 | |
| SCHEMBL468867 | 0.80 | CAD (0.49) | CADHTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7352891 | 0.80 | ECE1 (0.44) | CADHTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7347883 | 0.80 | ECE1 (0.44) | CADHTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL468865 | 0.80 | CAD (0.49) | CADHTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29058237 | 0.79 | CYP1A2 (0.62) | CADHTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27811871 | 0.79 | CYP1A2 (0.62) | CADHTTCYP1A2CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109608436-B | Substituted methyl formyl reagents and methods of using same to improve physicochemical and/or pharmacokinetic properties of compounds | 斯法尔制药私人有限公司 | 2022-10-11 | — | — | CN | disclosed |