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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | P2RY10 | O00398 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 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 | |
|---|---|---|---|---|
| Betaine SCHEMBL8034210 | 0.95 | USP2 (0.43) | LMNAALDH1A1APEX1USP2HTT | |
| SCHEMBL8436641 | 0.90 | USP2 (0.42) | ALDH1A1USP2KDM4EALOX15HTT | |
| SCHEMBL16406523 | 0.81 | CYP1A2 (0.46) | ALDH1A1USP2KDM4EALOX15HTT | |
| Betaine SCHEMBL4254026 | 0.81 | PSMD14 (0.43) | LMNAALDH1A1APEX1HTTTSHR | |
| SCHEMBL17995076 | 0.78 | USP2 (0.50) | ALDH1A1USP2KDM4EALOX15HTT | |
| SCHEMBL6235780 | 0.78 | USP2 (0.41) | ALDH1A1USP2KDM4EALOX15HTT | |
| SCHEMBL28643334 | 0.77 | USP2 (0.49) | ALDH1A1USP2KDM4EALOX15HTT | |
| SCHEMBL14283053 | 0.76 | USP2 (0.54) | ALDH1A1USP2KDM4EALOX15HTT | |
| Betaine SCHEMBL8029914 | 0.76 | TSHR (0.39) | LMNAALDH1A1APEX1TSHRMAPT | |
| Betaine SCHEMBL6063778 | 0.74 | ALDH1A1 (0.35) | LMNAALDH1A1APEX1TSHRMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |