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 | |
|---|---|---|---|---|
| ▸ | PPARA known ✓ | Q07869 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.39 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | CHUK | O15111 | 2/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 5/20 | 0.38 |
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Diflunisal SCHEMBL11415395 | 0.87 | ACMSD (0.57) | MCL1ACMSDDHFRKDM4EMEN1 | |
| SCHEMBL3695265 | 0.83 | ACMSD (0.49) | MCL1PPARASTING1CHUKACMSD | |
| SCHEMBL3690105 | 0.83 | ACMSD (0.49) | MCL1PPARASTING1CHUKACMSD | |
| Diflunisal SCHEMBL11457725 | 0.75 | ACMSD (0.74) | MCL1PPARASTING1ACMSDDHFR | |
| Salicylic Acid SCHEMBL3960 | 0.74 | KDM4E (0.61) | KDM4EMEN1USP2ALDH1A1CA1 | |
| Salicylic Acid SCHEMBL1661720 | 0.74 | KDM4E (0.61) | KDM4EMEN1USP2ALDH1A1CA1 | |
| Salicylic Acid SCHEMBL29723505 | 0.74 | KDM4E (0.61) | KDM4EMEN1USP2ALDH1A1CA1 | |
| Salicylic Acid SCHEMBL3467 | 0.73 | KDM4E (0.59) | KDM4EMEN1USP2ALDH1A1CA1 | |
| Salicylic Acid SCHEMBL9878595 | 0.73 | KDM4E (0.59) | KDM4EMEN1USP2ALDH1A1CA1 | |
| Salicylic Acid SCHEMBL9879420 | 0.73 | KDM4E (0.59) | KDM4EMEN1USP2ALDH1A1CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7795310-B2 | Methods and reagents for the treatment of metabolic disorders | COMBINATORX, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| EP-1781303-A4 | METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS | COMBINATORX INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1781303-A1 | METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS | CombinatoRx, Incorporated (US) | 2007-05-09 | — | — | EP | disclosed |
| US-20060069161-A1 | Methods and reagents for the treatment of metabolic disorders | COMBINATORX, INC. (US) | 2006-03-30 | — | — | US | disclosed |
| WO-2006004803-A1 | METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS | COMBINATORX, INCORPORATED (US) | 2006-01-12 | — | — | WO | 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 (1 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-20060069161-A1 | Methods and reagents for the treatment of metabolic disorders | LIPC, PNLIP, GOT2 | PPARA 440/4885MCL1 3721/4885STING1 4473/4885 |
“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.