Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Betaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL117889 | 0.84 | EPHX1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL27767877 | 0.84 | EPHX1 (0.31) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27567194 | 0.77 | MAPT (0.33) | — | |
| SCHEMBL18480410 | 0.76 | EPHX1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6428582 | 0.75 | MAPT (0.33) | — | |
| SCHEMBL2888595 | 0.70 | — | — | |
| Water SCHEMBL4106014 | 0.70 | GAA (0.40) | TSHRALDH1A1LMNA | |
| Water SCHEMBL3635067 | 0.69 | — | — | |
| SCHEMBL1566784 | 0.68 | NPSR1 (0.31) | ALDH1A1LMNA | |
| Betaine SCHEMBL134333 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9221806-B2 | 2-(heterocyclylbenzyl)pyridazinone derivatives | MERCK PATENT GMBH (DE) | 2015-12-29 | — | — | US | disclosed |
| US-8623870-B2 | Pyridazinone derivatives | MERCK PATENT GMBH (DE) | 2014-01-07 | — | — | US | disclosed |
| US-20130131037-A1 | 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2013-05-23 | — | — | US | disclosed |
| US-8435981-B2 | 2-(heterocyclylbenzyl)pyridazinone derivatives | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2013-05-07 | — | — | US | disclosed |
| US-20110269771-A1 | PYRIDAZINONE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-11-03 | — | — | US | disclosed |
| US-20100261697-A1 | 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES | MERCK PATENT GESELLSCHAFT (DE) | 2010-10-14 | — | — | 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 (3 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-20110269771-A1 | PYRIDAZINONE DERIVATIVES | MET, RET, ERBB2 | TSHR 245/4885ALDH1A1 915/4885LMNA 3168/4885 |
| US-20130131037-A1 | 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES | RET, MET, ERBB2 | TSHR 324/4885ALDH1A1 1074/4885LMNA 3009/4885 |
| US-20100261697-A1 | 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES | MET, RET, ERBB2 | TSHR 352/4885ALDH1A1 1276/4885LMNA 3034/4885 |
“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.