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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPY4R | P50391 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL3825907 | 0.96 | MEN1 (0.41) | MEN1LMNAHTTMMP14KMT2A | |
| SCHEMBL14781528 | 0.96 | MEN1 (0.41) | MEN1LMNAHTTMMP14KMT2A | |
| SCHEMBL3824520 | 0.90 | FOLH1 (0.41) | MEN1LMNAHTTMMP14KMT2A | |
| SCHEMBL3824519 | 0.90 | FOLH1 (0.41) | MEN1LMNAHTTMMP14KMT2A | |
| SCHEMBL12952135 | 0.90 | FOLH1 (0.41) | MEN1LMNAHTTMMP14KMT2A | |
| Glycinebetaine SCHEMBL3926852 | 0.90 | MEN1 (0.36) | MEN1LMNAHTTMMP14KMT2A | |
| SCHEMBL13567292 | 0.89 | FOLH1 (0.42) | MEN1LMNAHTTMMP14KMT2A | |
| SCHEMBL30267298 | 0.89 | MEN1 (0.41) | MEN1LMNAHTTMMP14KMT2A | |
| SCHEMBL559229 | 0.89 | MEN1 (0.41) | MEN1LMNAHTTMMP14KMT2A | |
| SCHEMBL559228 | 0.89 | MEN1 (0.41) | MEN1LMNAHTTMMP14KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7553869-B2 | Protein probe compounds, compositions, and methods | PIERCE BIOTECHNOLOGY, INC. (US) | 2009-06-30 | — | — | US | disclosed |
| US-20080026478-A1 | PROTEIN PROBE COMPOUNDS, COMPOSITIONS, AND METHODS | PIERCE BIOTECHNOLOGY, INC. (US) | 2008-01-31 | — | — | 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-20080026478-A1 | PROTEIN PROBE COMPOUNDS, COMPOSITIONS, AND METHODS | HIRA, CUTA, MRPS27 | MEN1 460/4885LMNA 299/4885HTT 3908/4885 |
“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.