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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 3/20 | 0.31 |
| ▸ | BCHE | P06276 | 2/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
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 SCHEMBL1628919 | 0.91 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1ACHE | |
| SCHEMBL265850 | 0.82 | BCHE (0.44) | ACHEBCHE | |
| Water SCHEMBL9779611 | 0.80 | BCHE (0.42) | ACHEBCHE | |
| Betaine SCHEMBL3179196 | 0.80 | TSHR (0.52) | TSHRALDH1A1LMNAAPEX1KMT2A | |
| Betaine SCHEMBL8958531 | 0.78 | TSHR (0.39) | TSHRALDH1A1LMNAAPEX1KMT2A | |
| Betaine SCHEMBL8958510 | 0.77 | LMNA (0.40) | TSHRALDH1A1LMNAAPEX1KMT2A | |
| Betaine SCHEMBL2129189 | 0.76 | TSHR (0.40) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL3642873 | 0.75 | TSHR (0.56) | TSHRALDH1A1LMNAAPEX1KMT2A | |
| SCHEMBL15732316 | 0.75 | BCHE (0.38) | ACHEBCHE | |
| Betaine SCHEMBL9760152 | 0.75 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1KMT2A |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1054866-B1 | SYNTHESIS OF 1-(2-SULPHOETHYL)-PYRIDINIUM BETAINE | BASF AG (DE) | 2003-04-16 | — | — | EP | claimed |
| US-6403800-B1 | Synthesis of 1-(2-sulfoethyl)-pyridinium betaine | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-11 | — | — | US | claimed |
| EP-0526497-B1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE | ATOTECH DEUTSCHLAND GMBH (DE) | 1995-02-08 | — | — | EP | claimed |
| US-5169514-A | Gold or gold alloy depositions containing gold compound, alloying metal compounds and imines speed promoters | ENTHONE-OMI, INC. (US) | 1992-12-08 | — | — | US | claimed |
| CN-1118453-C | Synthesis of 1-(2-sulphoethyl)-pyridinium betaine | BASF AG (DE) | 2003-08-20 | — | — | CN | disclosed |
| CN-1118453-C | Synthesis of 1-(2-sulphoethyl)-pyridinium betaine | BASF AG (DE) | 2003-08-20 | — | — | CN | disclosed |
| EP-1054866-B1 | SYNTHESIS OF 1-(2-SULPHOETHYL)-PYRIDINIUM BETAINE | BASF AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| EP-1054866-B1 | SYNTHESIS OF 1-(2-SULPHOETHYL)-PYRIDINIUM BETAINE | BASF AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| US-6403800-B1 | Synthesis of 1-(2-sulfoethyl)-pyridinium betaine | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-11 | — | — | US | disclosed |
| US-6403800-B1 | Synthesis of 1-(2-sulfoethyl)-pyridinium betaine | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-11 | — | — | US | disclosed |
| US-6403800-B1 | Synthesis of 1-(2-sulfoethyl)-pyridinium betaine | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-11 | — | — | US | disclosed |
| CN-1296476-A | Synthesis of 1-(2-sulphoethyl)-pyridinium betaine | BASF AG (DE) | 2001-05-23 | — | — | CN | disclosed |
| EP-0526497-B1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE | ATOTECH DEUTSCHLAND GMBH (DE) | 1995-02-08 | — | — | EP | disclosed |
| EP-0526497-B1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE | ATOTECH DEUTSCHLAND GMBH (DE) | 1995-02-08 | — | — | EP | disclosed |
| US-5264112-A | Acidic nickel baths containing 1-(2-sulfoethyl)-pyridiniumbetaine | ATOTECH DEUTSCHLAND GMBH (DE) | 1993-11-23 | — | — | US | disclosed |
| EP-0526497-A1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE. | SCHERING AG (DE) | 1993-02-10 | — | — | EP | disclosed |
| EP-0526497-A1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE. | SCHERING AG (DE) | 1993-02-10 | — | — | EP | disclosed |
| US-5169514-A | Gold or gold alloy depositions containing gold compound, alloying metal compounds and imines speed promoters | ENTHONE-OMI, INC. (US) | 1992-12-08 | — | — | US | disclosed |
| WO-1991016474-A1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-10-31 | — | — | WO | disclosed |
| WO-1991016474-A1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-10-31 | — | — | WO | disclosed |