Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 4/20 | 0.39 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29036057 | 0.92 | CDK1 (0.55) | CDK1TDP1NAAATUBBPTGS1 | |
| SCHEMBL29036020 | 0.90 | CDK1 (0.58) | CDK1TDP1NAAATUBBPTGS1 | |
| Alcohol SCHEMBL2337112 | 0.88 | CDK1 (0.64) | CDK1TDP1NAAAPTGS1P2RX1 | |
| SCHEMBL2335483 | 0.88 | CDK1 (0.67) | CDK1TDP1NAAATUBBPTGS1 | |
| SCHEMBL2330850 | 0.88 | CDK1 (0.67) | CDK1TDP1NAAATUBBPTGS1 | |
| Choline SCHEMBL30481054 | 0.86 | NAAA (0.45) | CDK1TDP1NAAAKDM4EALDH1A1 | |
| Tetrabuthylammonium SCHEMBL30481059 | 0.85 | NAAA (0.57) | CDK1TDP1NAAACNR1 | |
| Tetrabuthylammonium SCHEMBL29036069 | 0.85 | NAAA (0.57) | CDK1TDP1NAAACNR1 | |
| SCHEMBL30481058 | 0.85 | TDP1 (0.53) | CDK1TDP1NAAAALDH1A1TUBB | |
| SCHEMBL29036006 | 0.85 | TDP1 (0.53) | CDK1TDP1NAAAALDH1A1TUBB |
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-116444392-B | Polypeptide protein medicine oral absorption promoter and preparation method and application thereof | 中国药科大学 | 2024-09-27 | — | — | CN | disclosed |
| CN-116444392-A | Polypeptide protein medicine oral absorption promoter and preparation method and application thereof | 中国药科大学 | 2023-07-18 | — | — | CN | disclosed |