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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL14742785 | 0.85 | BBOX1 (0.41) | TSHRLMNAMAPTSLC22A16BLM | |
| SCHEMBL8010 | 0.85 | BBOX1 (0.41) | TSHRLMNAMAPTSLC22A16BLM | |
| Bromide SCHEMBL8416789 | 0.83 | BBOX1 (0.39) | TSHRLMNAMAPTSLC22A16BLM | |
| Hydrochloric Acid SCHEMBL434365 | 0.83 | MAPT (0.43) | TSHRLMNAMAPTSLC22A16BLM | |
| Water SCHEMBL17373732 | 0.83 | BBOX1 (0.39) | TSHRLMNAMAPTSLC22A16BLM | |
| Hydrochloric Acid SCHEMBL933391 | 0.81 | MAPT (0.41) | TSHRLMNAMAPTSLC22A16BLM | |
| Hydroxyamine SCHEMBL8584616 | 0.81 | BBOX1 (0.43) | TSHRLMNAMAPTSLC22A16BBOX1 | |
| Hydrochloric Acid SCHEMBL2355625 | 0.81 | MAPT (0.41) | TSHRLMNAMAPTSLC22A16BLM | |
| Phosphoric Acid SCHEMBL9095324 | 0.79 | BBOX1 (0.41) | TSHRALDH1A1MAPTSLC22A16TDP1 | |
| Gamma-Aminobutyric Acid SCHEMBL7711331 | 0.78 | LMNA (0.48) | TSHRLMNAALDH1A1MAPTMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10202546-B2 | Ligands for semiconductor nanocrystals | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2019-02-12 | — | — | US | claimed |
| US-20180187072-A1 | LIGANDS FOR SEMICONDUCTOR NANOCRYSALS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-07-05 | — | — | US | claimed |
| WO-2011119654-A1 | LIGANDS FOR SEMICONDUCTOR NANOCRYSTALS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-09-29 | — | — | WO | claimed |
| US-20110236315-A1 | Ligands for Semiconductor Nanocrystals | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-09-29 | — | — | US | claimed |
| US-10202546-B2 | Ligands for semiconductor nanocrystals | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2019-02-12 | — | — | US | disclosed |
| US-20180187072-A1 | LIGANDS FOR SEMICONDUCTOR NANOCRYSALS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-07-05 | — | — | US | disclosed |
| US-9759727-B2 | Ligands for semiconductor nanocrystals | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-09-12 | — | — | US | disclosed |
| WO-2011119654-A1 | LIGANDS FOR SEMICONDUCTOR NANOCRYSTALS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-09-29 | — | — | WO | disclosed |
| US-20110236315-A1 | Ligands for Semiconductor Nanocrystals | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-09-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110236315-A1 | Ligands for Semiconductor Nanocrystals | PHOSPHO1, CHKA, CHKB | TSHR 2102/4885LMNA 2521/4885ALDH1A1 4598/4885 |
| US-20180187072-A1 | LIGANDS FOR SEMICONDUCTOR NANOCRYSALS | PHOSPHO1, CHKA, CHKB | TSHR 2440/4885LMNA 2699/4885ALDH1A1 4677/4885 |
| US-10202546-B2 | Ligands for semiconductor nanocrystals | PHOSPHO1, CHKA, CHKB | TSHR 2102/4885LMNA 2521/4885ALDH1A1 4598/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.