Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 7/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL746669 | 0.79 | POLB (0.55) | KEAP1NFE2L2ST14MAOBSLC6A4 | |
| Hydrochloric Acid SCHEMBL30670765 | 0.78 | CYP1A2 (0.56) | KEAP1NFE2L2ST14MAOBSLC6A4 | |
| SCHEMBL3821124 | 0.78 | TDP1 (0.44) | MAOBPOLBGAA | |
| SCHEMBL9809283 | 0.76 | MAOB (0.47) | KEAP1NFE2L2ST14MAOBSLC6A4 | |
| SCHEMBL22563306 | 0.74 | ST14 (0.45) | KEAP1NFE2L2ST14MAOBSLC6A4 | |
| Hydrochloric Acid SCHEMBL6574419 | 0.74 | MAOB (0.46) | KEAP1NFE2L2ST14MAOBSLC6A4 | |
| SCHEMBL6788802 | 0.74 | LDHA (0.44) | SLC6A4 | |
| SCHEMBL2213115 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2C19 | |
| SCHEMBL2215535 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2C19 | |
| SCHEMBL20106676 | 0.73 | ST14 (0.44) | KEAP1NFE2L2ST14MAOBSLC6A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111679029-B | Method for detecting p-hydroxybenzaldehyde in itopride hydrochloride | 珠海润都制药股份有限公司 | 2022-12-13 | — | — | CN | disclosed |
| CN-111679029-B | Method for detecting p-hydroxybenzaldehyde in itopride hydrochloride | 珠海润都制药股份有限公司 | 2022-12-13 | — | — | CN | disclosed |
| CN-114487134-A | Method for detecting hydroxylamine hydrochloride in itopride hydrochloride | 珠海润都制药股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-114487134-A | Method for detecting hydroxylamine hydrochloride in itopride hydrochloride | 珠海润都制药股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-111679029-A | Method for detecting p-hydroxybenzaldehyde in itopride hydrochloride | 珠海润都制药股份有限公司 | 2020-09-18 | — | — | CN | disclosed |
| CN-111679029-A | Method for detecting p-hydroxybenzaldehyde in itopride hydrochloride | 珠海润都制药股份有限公司 | 2020-09-18 | — | — | CN | disclosed |