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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL119566 | 0.97 | — | — | |
| Bromide SCHEMBL145264 | 0.94 | DNM1 (0.44) | DNM1HTTKMT2AHSP90AA1RAD52 | |
| Hydrochloric Acid SCHEMBL16594014 | 0.94 | DNM1 (0.40) | DNM1HTTKMT2AHSP90AA1RAD52 | |
| Iodide SCHEMBL2430929 | 0.94 | DNM1 (0.40) | DNM1HTTKMT2AHSP90AA1RAD52 | |
| SCHEMBL1277047 | 0.87 | DNM1 (0.36) | DNM1HTTKMT2AHSP90AA1RAD52 | |
| SCHEMBL1277012 | 0.82 | DNM1 (0.36) | DNM1HTTKMT2AHSP90AA1RAD52 | |
| SCHEMBL12583479 | 0.82 | HTT (0.32) | DNM1HTT | |
| Acetic Acid SCHEMBL2761986 | 0.82 | BBOX1 (0.48) | DNM1HTTKMT2AHSP90AA1RAD52 | |
| SCHEMBL21523568 | 0.81 | DNM1 (0.50) | DNM1HTTKMT2AHSP90AA1RAD52 | |
| Iodide SCHEMBL30869317 | 0.80 | DNM1 (0.34) | DNM1HTTKMT2AHSP90AA1RAD52 |
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-20120058057-A1 | Anti-dandruff Agents | MERCK PATENT GMBH (DE) | 2012-03-08 | — | — | US | disclosed |
| WO-2010136105-A2 | AMMONIUMCARBOXYLATES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | 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-20120058057-A1 | Anti-dandruff Agents | POLR1C, ETF1, PIK3C3 | DNM1 128/4885HTT 3218/4885KMT2A 3349/4885 |
“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.