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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14405678 | 0.88 | PSMD14 (0.40) | PSMD14PLA2G1BHSP90AA1MMP2ATG4B | |
| Betaine SCHEMBL8018560 | 0.81 | TSHR (0.45) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL8018655 | 0.81 | TSHR (0.45) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL8029914 | 0.81 | TSHR (0.39) | TSHRALDH1A1LMNAAPEX1PSMD14 | |
| Betaine SCHEMBL10728303 | 0.78 | TSHR (0.54) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL8029911 | 0.77 | TSHR (0.38) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL11241957 | 0.77 | TSHR (0.38) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL4254026 | 0.76 | PSMD14 (0.43) | TSHRALDH1A1LMNAAPEX1PSMD14 | |
| Betaine SCHEMBL2230085 | 0.75 | HTT (0.46) | TSHRALDH1A1LMNAAPEX1HSP90AA1 | |
| Betaine SCHEMBL2235072 | 0.75 | HTT (0.46) | TSHRALDH1A1LMNAAPEX1HSP90AA1 |
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-6133391-A | REPULPABLE PRESSURE-SENSITIVE ADHESIVE CONTAINING PLASTICIZER AND TACKIFIER RESIN | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| US-6106940-A | ADHESIVE POLYMER AND AS A TACKIFIER OR PLASTICIZER, A ZWITTERIONIC COMPOUND SUCH AS N-(2-HYDROXY-3-SULFOPROPYL)-N,N-DIMETHYL-N-(3-BUTYLOXY-2-HYDROXYPROPYL) -AMMONIUM BETAINE; ADHESIVE TAPES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-08-22 | — | — | US | disclosed |