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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 18/20 | 0.74 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| Choline SCHEMBL4374284 | 0.94 | CMA1 (0.68) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| Choline SCHEMBL4374280 | 0.94 | CMA1 (0.68) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| SCHEMBL3136848 | 0.91 | CMA1 (0.87) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| SCHEMBL3136836 | 0.91 | CMA1 (0.87) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| Choline SCHEMBL3238432 | 0.90 | CMA1 (0.84) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| SCHEMBL4375799 | 0.86 | CMA1 (0.63) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| SCHEMBL997689 | 0.85 | CMA1 (1.00) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| SCHEMBL997686 | 0.85 | CMA1 (1.00) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| SCHEMBL4374288 | 0.85 | CMA1 (0.61) | CMA1PRSS1PRSS2CTSGPRSS3 | |
| SCHEMBL1083299 | 0.85 | CMA1 (0.89) | CMA1PRSS1PRSS2CTSGPRSS3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081430-A2 | SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS | Janssen Pharmaceutica, N.V. (BE) | 2009-07-29 | — | — | EP | claimed |
| WO-2008051489-A2 | SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-05-02 | — | — | WO | claimed |
| US-20080097110-A1 | Salt forms of substituted benzothienyl compounds | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-04-24 | — | — | US | claimed |
| EP-2081430-A2 | SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS | Janssen Pharmaceutica, N.V. (BE) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008051489-A2 | SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-05-02 | — | — | WO | disclosed |
| US-20080097110-A1 | Salt forms of substituted benzothienyl compounds | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-04-24 | — | — | US | 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-20080097110-A1 | Salt forms of substituted benzothienyl compounds | SLC10A1, REN, SLC10A6 | CMA1 1104/4885PRSS1 1753/4885PRSS2 2527/4885 |
“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.