Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 4/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28353632 | 0.85 | LMNA (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL28509989 | 0.81 | CA12 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL28513977 | 0.81 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL28520410 | 0.81 | KCNH2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL28512660 | 0.80 | ALDH1A1 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL28516002 | 0.80 | CA12 (0.55) | GRM5CA12CA2CA9 | |
| SCHEMBL9305673 | 0.78 | GRM5 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL28520313 | 0.77 | APP (0.50) | MEN1KMT2ANPC1APPFFAR1 | |
| SCHEMBL28513835 | 0.74 | MAPT (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL29001491 | 0.74 | MAPT (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 |
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-110656346-B | Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device | 南京工业大学 | 2021-02-02 | — | — | CN | claimed |