Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Glycinebetaine. 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 | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 5/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 5/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 3/20 | 0.33 |
| ▸ | HSPE1 | P61604 | 3/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Glycinebetaine SCHEMBL16817804 | 0.93 | CETP (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16815320 | 0.93 | PTPN2 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16844909 | 0.85 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16815235 | 0.84 | FABP3 (0.36) | SMN1; SMN2TP53 | |
| Glycinebetaine SCHEMBL16817781 | 0.83 | S1PR1 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Glycinebetaine SCHEMBL16817774 | 0.80 | TLR7 (0.38) | KDM4EALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL20057440 | 0.77 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16848752 | 0.77 | FABP3 (0.37) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Glycinebetaine SCHEMBL16817742 | 0.76 | HDAC3 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16815239 | 0.74 | HDAC6 (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-9453010-B2 | Marker dyes for UV and short wave excitation with high stokes shift based on benzoxazoles | DYOMICS GMBH (DE) | 2016-09-27 | — | — | US | disclosed |
| US-20150175591-A1 | MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES | DYOMICS GMBH (DE) | 2015-06-25 | — | — | 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-20150175591-A1 | MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES | NR2E3, H1-10, NR0B1 | HDAC3 539/4885HDAC4 561/4885HDAC1 804/4885 |
“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.