Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL20604439 | 0.87 | CYP3A4 (0.39) | MAPK1CYP3A4CYP2D6LMNATHPO | |
| SCHEMBL23926447 | 0.84 | SIGMAR1 (0.39) | MAPK1CYP3A4LMNAKMT2ACHRM2 | |
| SCHEMBL20604537 | 0.70 | CYP2C9 (0.33) | CYP3A4CYP2D6LMNAKMT2AMEN1 | |
| SCHEMBL20604498 | 0.70 | LMNA (0.54) | MAPK1CYP3A4CYP2D6LMNATHPO | |
| SCHEMBL20604543 | 0.69 | CHKA (0.37) | MAPK1CYP3A4CYP2D6LMNATHPO | |
| SCHEMBL23926441 | 0.69 | TAAR1 (0.34) | CYP2D6L3MBTL1CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL20604441 | 0.69 | KDM4E (0.33) | MAPK1CYP3A4CYP2D6LMNATHPO | |
| SCHEMBL10256959 | 0.68 | SLC18A3 (0.44) | MAPK1LMNAKMT2AMEN1ALDH1A1 | |
| SCHEMBL20604539 | 0.68 | CYP2C9 (0.36) | MAPK1CYP3A4CYP2D6LMNATHPO | |
| SCHEMBL23926429 | 0.67 | SMN1; SMN2 (0.39) | KMT2AMEN1ALDH1A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423441-B1 | IODINATED ANALOGS OF CHOLINE, METHODS OF PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS | UNIV PALACKEHO (CZ) | 2021-10-27 | — | — | EP | claimed |
| EP-3423441-B1 | IODINATED ANALOGS OF CHOLINE, METHODS OF PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS | UNIV PALACKEHO (CZ) | 2021-10-27 | — | — | EP | disclosed |