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 | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | P2RY10 | O00398 | 1/20 | 0.38 |
| ▸ | PLA2G2C | Q5R387 | 4/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKCB | P05771 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | PRKCH | P24723 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.36 |
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 SCHEMBL8018563 | 0.95 | LMNA (0.37) | USP2HTTNPSR1RAD52LPAR5 | |
| SCHEMBL8436641 | 0.85 | USP2 (0.42) | USP2HTTRAD52LPAR5CYP1A2 | |
| Betaine SCHEMBL4254026 | 0.84 | PSMD14 (0.43) | HTTRAD52LMNAHSP90AA1KMT2A | |
| SCHEMBL14283053 | 0.82 | USP2 (0.54) | USP2HTTNPSR1RAD52LPAR5 | |
| SCHEMBL10395669 | 0.79 | USP2 (0.61) | USP2HTTLPAR5CYP1A2CYP3A4 | |
| SCHEMBL3813244 | 0.78 | USP2 (0.58) | USP2HTTLPAR5CYP1A2CYP3A4 | |
| SCHEMBL15200817 | 0.78 | USP2 (0.67) | USP2HTTLPAR5CYP1A2CYP3A4 | |
| SCHEMBL16406523 | 0.77 | CYP1A2 (0.46) | USP2HTTLPAR5CYP1A2CYP3A4 | |
| SCHEMBL11146470 | 0.77 | PSMD14 (0.43) | USP2HTTRAD52LPAR5CYP1A2 | |
| SCHEMBL18655677 | 0.77 | NPSR1 (0.52) | HTTNPSR1RAD52LMNAMAPT |
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 |