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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12704928 | 0.82 | POLB (0.41) | TSHRMEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL23926453 | 0.82 | SMN1; SMN2 (0.35) | SMN1; SMN2HIF1A | |
| SCHEMBL6122174 | 0.81 | SMN1; SMN2 (0.36) | SMN1; SMN2CYP1A2CYP2C9MEN1KMT2A | |
| Bromide SCHEMBL20604348 | 0.81 | SMN1; SMN2 (0.37) | SMN1; SMN2HIF1A | |
| Glyphosate SCHEMBL1702446 | 0.80 | SMN1; SMN2 (0.34) | SMN1; SMN2TSHRCYP1A2CYP2C9MEN1 | |
| Hydrochloric Acid SCHEMBL10750428 | 0.79 | POLB (0.40) | TSHRMEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL6122277 | 0.79 | MAOA (0.39) | SMN1; SMN2MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL8965317 | 0.79 | APOBEC3A (0.36) | SMN1; SMN2MEN1KMT2AALDH1A1MAPT | |
| Glyphosate SCHEMBL1702447 | 0.78 | SMN1; SMN2 (0.33) | SMN1; SMN2CYP1A2CYP2C9MEN1KMT2A | |
| SCHEMBL8056810 | 0.77 | CHRNA7 (0.44) | SMN1; SMN2CYP1A2CYP2C9MEN1KMT2A |
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-20130109572-A1 | HERBICIDAL COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2013-05-02 | — | — | US | disclosed |
| WO-2012006313-A2 | HERBICIDAL COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2012-01-12 | — | — | 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-20130109572-A1 | HERBICIDAL COMPOSITIONS AND METHODS OF USE | DDT, ACHE, CAT | SMN1; SMN2 1480/4885TSHR 3275/4885CYP1A2 214/4885 |
“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.