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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 5/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.40 |
| ▸ | CBLB | Q13191 | 6/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6944920 | 0.98 | BBOX1 (0.50) | BBOX1ADRA1APLA2G2APLA2G4ACBLB | |
| SCHEMBL11949114 | 0.94 | ADRA1A (0.46) | BBOX1ADRA1APLA2G2APLA2G4ACBLB | |
| SCHEMBL9065100 | 0.92 | BBOX1 (0.42) | BBOX1ADRA1APLA2G2APLA2G4ACBLB | |
| Betaine SCHEMBL5180578 | 0.91 | BBOX1 (0.44) | BBOX1ADRA1APLA2G2APLA2G4ACBLB | |
| SCHEMBL21783321 | 0.87 | CBLB (0.43) | BBOX1CBLBATMKMT2A | |
| Betaine SCHEMBL5166537 | 0.85 | TSHR (0.39) | BBOX1ADRA1APLA2G2APLA2G4ACBLB | |
| Betaine SCHEMBL5167081 | 0.85 | BBOX1 (0.44) | BBOX1ADRA1APLA2G2APLA2G4ACBLB | |
| SCHEMBL23375507 | 0.85 | CBLB (0.42) | ADRA1ACBLBATMKMT2A | |
| SCHEMBL19458462 | 0.85 | CBLB (0.42) | ADRA1ACBLBATMKMT2A | |
| SCHEMBL18327380 | 0.85 | CBLB (0.42) | ADRA1ACBLBATMKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030161804-A1 | Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof | L'OREAL (FR) | 2003-08-28 | — | — | US | claimed |
| WO-2013186720-A2 | RINSE-OFF COMPOSITION COMPRISING A PRESSURE-SENSITIVE ADHESIVE COMPOUND IN THE FORM OF BEADS | L'OREAL (FR) | 2013-12-19 | — | — | WO | disclosed |
| WO-2012131070-A2 | USE OF A DEVICE FOR TRANSFERRING AN ANTIPERSPIRANT COSMETIC FILM APPLIED ONTO THE SKIN | L'OREAL (FR) | 2012-10-04 | — | — | WO | 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 (1 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-20030161804-A1 | Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof | PARN, PCNA, F13A1 | BBOX1 1493/4885ADRA1A 3543/4885PLA2G2A 558/4885 |
“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.