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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
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 SCHEMBL7757800 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP2C19ALDH1A1LMNAAPEX1 | |
| Hydrochloric Acid SCHEMBL8524242 | 0.77 | CYP1A2 (0.42) | CYP1A2CYP2C19ALDH1A1LMNAAPEX1 | |
| Propionic Acid SCHEMBL11408290 | 0.76 | JUN (0.42) | CYP1A2CYP2C19ALDH1A1TSHRJUN | |
| R-Chloropropionate SCHEMBL8102515 | 0.74 | BCHE (0.40) | CYP1A2CYP2C19ALDH1A1LMNATSHR | |
| Acetic Acid SCHEMBL8516899 | 0.74 | JUN (0.47) | CYP1A2CYP2C19ALDH1A1TSHRJUN | |
| Hydrogen Peroxide SCHEMBL27481776 | 0.72 | ALDH1A1 (0.53) | CYP1A2CYP2C19ALDH1A1LMNATSHR | |
| Hydrochloric Acid SCHEMBL7997040 | 0.71 | POLB (0.42) | CYP1A2CYP2C19JUNNFKB1SNCA | |
| Betaine SCHEMBL4654474 | 0.71 | TSHR (0.42) | ALDH1A1LMNAAPEX1TSHRSMN1; SMN2 | |
| SCHEMBL28627280 | 0.70 | JUN (0.47) | CYP1A2CYP2C19ALDH1A1TSHRJUN | |
| Acrylic Acid SCHEMBL7781248 | 0.70 | JUN (0.47) | CYP1A2CYP2C19ALDH1A1LMNATSHR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1023430-A4 | WATER SOLUBLE DYE COMPLEXING POLYMERS AS DYE TRANSFER INHIBITORS IN LAUNDRY DETERGENT AND FABRIC SOFTENER COMPOSITIONS | ISP INVESTMENTS INC (US) | 2000-11-15 | — | — | EP | claimed |
| EP-1023430-A1 | WATER SOLUBLE DYE COMPLEXING POLYMERS AS DYE TRANSFER INHIBITORS IN LAUNDRY DETERGENT AND FABRIC SOFTENER COMPOSITIONS | ISP INVESTMENTS INC. (US) | 2000-08-02 | — | — | EP | claimed |
| WO-2000002985-A1 | DYE-TRANSFER-INHIBITING COMPOSITIONS AND PARTICULATE DETERGENT COMPOSITIONS CONTAINING THEM | UNILEVER PLC (GB) | 2000-01-20 | — | — | WO | claimed |
| WO-2000002984-A1 | DYE-TRANSFER-INHIBITING COMPOSITIONS AND PARTICULATE DETERGENT COMPOSITIONS CONTAINING THEM | UNILEVER PLC (GB) | 2000-01-20 | — | — | WO | claimed |
| WO-1999015614-A1 | WATER SOLUBLE DYE COMPLEXING POLYMERS AS DYE TRANSFER INHIBITORS IN LAUNDRY DETERGENT AND FABRIC SOFTENER COMPOSITIONS | ISP INVESTMENTS INC. (US) | 1999-04-01 | — | — | WO | claimed |
| EP-1023430-A4 | WATER SOLUBLE DYE COMPLEXING POLYMERS AS DYE TRANSFER INHIBITORS IN LAUNDRY DETERGENT AND FABRIC SOFTENER COMPOSITIONS | ISP INVESTMENTS INC (US) | 2000-11-15 | — | — | EP | disclosed |
| US-6117834-A | FREE-FLOWING; FOR USE IN PARTICULATE DETERGENTS | UNILEVER HOME & PERSONAL CARE U.S.A. (US) | 2000-09-12 | — | — | US | disclosed |
| EP-1023430-A1 | WATER SOLUBLE DYE COMPLEXING POLYMERS AS DYE TRANSFER INHIBITORS IN LAUNDRY DETERGENT AND FABRIC SOFTENER COMPOSITIONS | ISP INVESTMENTS INC. (US) | 2000-08-02 | — | — | EP | disclosed |
| WO-2000002985-A1 | DYE-TRANSFER-INHIBITING COMPOSITIONS AND PARTICULATE DETERGENT COMPOSITIONS CONTAINING THEM | UNILEVER PLC (GB) | 2000-01-20 | — | — | WO | disclosed |
| WO-2000002984-A1 | DYE-TRANSFER-INHIBITING COMPOSITIONS AND PARTICULATE DETERGENT COMPOSITIONS CONTAINING THEM | UNILEVER PLC (GB) | 2000-01-20 | — | — | WO | disclosed |
| WO-2000002984-A1 | DYE-TRANSFER-INHIBITING COMPOSITIONS AND PARTICULATE DETERGENT COMPOSITIONS CONTAINING THEM | UNILEVER PLC (GB) | 2000-01-20 | — | — | WO | disclosed |
| WO-1999015614-A1 | WATER SOLUBLE DYE COMPLEXING POLYMERS AS DYE TRANSFER INHIBITORS IN LAUNDRY DETERGENT AND FABRIC SOFTENER COMPOSITIONS | ISP INVESTMENTS INC. (US) | 1999-04-01 | — | — | WO | disclosed |