Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Choline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Choline SCHEMBL28992902 | 0.98 | CYP3A4 (0.45) | CYP3A4SLC5A7LMNACYP2D6MAPK1 | |
| Choline SCHEMBL506429 | 0.98 | CYP3A4 (0.46) | CYP3A4SLC5A7LMNACYP2D6MAPK1 | |
| SCHEMBL2921887 | 0.89 | CYP3A4 (0.48) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL10599444 | 0.88 | CYP3A4 (0.43) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL11789370 | 0.87 | LMNA (0.46) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL10503573 | 0.86 | LMNA (0.43) | CYP3A4LMNACYP2D6MAPK1THPO | |
| Choline SCHEMBL28154995 | 0.86 | ALDH1A1 (0.47) | CYP3A4SLC5A7LMNACYP2D6MAPK1 | |
| SCHEMBL10598903 | 0.85 | KCNH2 (0.45) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL10598262 | 0.85 | KCNH2 (0.45) | CYP3A4LMNACYP2D6MAPK1THPO | |
| Choline SCHEMBL28992904 | 0.84 | ALDH1A1 (0.46) | CYP3A4SLC5A7LMNACYP2D6MAPK1 |
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-113322376-B | Method for recovering valuable metals from waste lithium ion battery active materials | 南方科技大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-113322376-A | Method for recovering valuable metals from waste lithium ion battery active materials | 南方科技大学 | 2021-08-31 | — | — | CN | disclosed |