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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.57 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.44 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
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 SCHEMBL17819390 | 1.00 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL136984 | 0.97 | LMNA (0.60) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL7782025 | 0.95 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL9447044 | 0.95 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL28188508 | 0.95 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL5445163 | 0.95 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL9447084 | 0.95 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL724760 | 0.95 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL28885216 | 0.93 | CYP3A4 (0.62) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL28369650 | 0.93 | CYP3A4 (0.62) | LMNAMEN1KMT2ACYP3A4SLC5A7 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070027115-A1 | Triazole derivatives useful in therapy | PFIZER INC. | 2007-02-01 | — | — | US | disclosed |
| US-6977302-B2 | Triazole derivatives useful in therapy | AGOURON PHARMACEUTICALS, INC. (US) | 2005-12-20 | — | — | US | disclosed |
| US-20050130940-A1 | Triazole derivatives useful in therapy | PFIZER INC. | 2005-06-16 | — | — | US | disclosed |
| US-20040236105-A1 | Triazole derivatives useful in therapy | PFIZER, INC. | 2004-11-25 | — | — | US | disclosed |
| US-6790957-B2 | CONVERTING TERTIARY HYDROXY GROUP OF A TRIAZOLE ANTIFUNGAL COMPOUND INTO A PHOSPHATE GROUP TO IMPROVE AQUEOUS SOLUBILITY | PFIZER, INC. | 2004-09-14 | — | — | US | disclosed |
| US-20030144250-A1 | Triazole derivatives useful in therapy | GREEN STUART (GB) | 2003-07-31 | — | — | US | disclosed |
| EP-0880533-B1 | Triazole derivatives useful in therapy | PFIZER RES & DEV (IE) | 2002-06-12 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050130940-A1 | Triazole derivatives useful in therapy | ERG28, CYP51A1, THOP1 | ADORA3 928/4885LMNA 4815/4885MEN1 1819/4885 |
| US-20070027115-A1 | Triazole derivatives useful in therapy | ERG28, CYP51A1, THOP1 | ADORA3 928/4885LMNA 4815/4885MEN1 1819/4885 |
| US-20030144250-A1 | Triazole derivatives useful in therapy | CYP51A1, THOP1, ERG28 | ADORA3 1338/4885LMNA 4869/4885MEN1 1789/4885 |
| US-20040236105-A1 | Triazole derivatives useful in therapy | CYP51A1, ERG28, THOP1 | ADORA3 1189/4885LMNA 4855/4885MEN1 2770/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.