Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 7/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10041769 | 0.98 | BBOX1 (0.53) | BBOX1TSHRTHRBPOLBAPEX1 | |
| Betaine SCHEMBL5836146 | 0.91 | BBOX1 (0.46) | BBOX1TSHRTHRBPOLBAPEX1 | |
| Bromide SCHEMBL21931269 | 0.91 | TSHR (0.45) | BBOX1TSHRTHRBPOLBAPEX1 | |
| Bromide SCHEMBL21931193 | 0.91 | TSHR (0.45) | BBOX1TSHRTHRBPOLBAPEX1 | |
| Water SCHEMBL16029492 | 0.90 | THRB (0.43) | BBOX1TSHRTHRBPOLBAPEX1 | |
| SCHEMBL30119542 | 0.89 | THRB (0.44) | BBOX1TSHRTHRBPOLBAPEX1 | |
| SCHEMBL721565 | 0.89 | THRB (0.44) | BBOX1TSHRTHRBPOLBAPEX1 | |
| SCHEMBL18136174 | 0.87 | TSHR (0.46) | BBOX1TSHRTHRBPOLBAPEX1 | |
| Betaine SCHEMBL5168008 | 0.87 | BBOX1 (0.47) | BBOX1TSHRTHRBPOLBAPEX1 | |
| SCHEMBL23375334 | 0.85 | TSHR (0.55) | TSHRTHRBPOLBAPEX1HTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113121846-B | Zwitterionic hydrogel capable of recruiting type II collagen and preparation method and application thereof | 四川大学 | 2022-04-08 | — | — | CN | claimed |
| US-20190077101-A1 | SILICONE HYDROGEL COMPOSITION, OPHTHALMIC LENS, AND METHOD FOR MANUFACTURING THE SAME | HON HAI PRECISION INDUSTRY CO., LTD. (TW) | 2019-03-14 | — | — | US | claimed |
| US-20030161804-A1 | Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof | L'OREAL (FR) | 2003-08-28 | — | — | US | claimed |
| CN-113121846-B | Zwitterionic hydrogel capable of recruiting type II collagen and preparation method and application thereof | 四川大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-113121846-A | Zwitterionic hydrogel capable of recruiting type II collagen and preparation method and application thereof | 四川大学 | 2021-07-16 | — | — | CN | disclosed |
| US-20190077101-A1 | SILICONE HYDROGEL COMPOSITION, OPHTHALMIC LENS, AND METHOD FOR MANUFACTURING THE SAME | HON HAI PRECISION INDUSTRY CO., LTD. (TW) | 2019-03-14 | — | — | US | disclosed |
| US-20030161804-A1 | Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof | L'OREAL (FR) | 2003-08-28 | — | — | 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 (2 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-20190077101-A1 | SILICONE HYDROGEL COMPOSITION, OPHTHALMIC LENS, AND METHOD FOR MANUFACTURING THE SAME | CRYAA, LAGE3, VCL | BBOX1 3388/4885TSHR 2102/4885THRB 2228/4885 |
| US-20030161804-A1 | Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof | PARN, PCNA, F13A1 | BBOX1 1493/4885TSHR 3442/4885THRB 4435/4885 |
“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.