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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL117889 | 0.84 | EPHX1 (0.31) | HPGD | |
| Water SCHEMBL3635067 | 0.79 | — | — | |
| SCHEMBL5138578 | 0.74 | GAA (0.46) | GAASMN1; SMN2MGAMSIMGAM2 | |
| SCHEMBL3836989 | 0.73 | GAA (0.44) | GAASMN1; SMN2MGAMSIMGAM2 | |
| SCHEMBL9574919 | 0.73 | GAA (0.44) | GAASMN1; SMN2MGAMSIMGAM2 | |
| SCHEMBL5639931 | 0.73 | GAA (0.46) | GAASMN1; SMN2MGAMSIMGAM2 | |
| SCHEMBL23928061 | 0.71 | GAA (0.42) | GAASMN1; SMN2MGAMSIMGAM2 | |
| SCHEMBL529835 | 0.71 | GAA (0.42) | GAASMN1; SMN2MGAMSIMGAM2 | |
| SCHEMBL530163 | 0.71 | FNTA (0.46) | GAASMN1; SMN2MGAMSIMGAM2 | |
| SCHEMBL530162 | 0.71 | GAA (0.42) | GAASMN1; SMN2MGAMSIMGAM2 |
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-20090286834-A1 | Pyridine Analogues VI | ASTRAZENECA AB (SE) | 2009-11-19 | — | — | US | disclosed |
| US-20090186876-A1 | Pyridine Analogues II | ASTRAZENECA AB (SE) | 2009-07-23 | — | — | 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-20090286834-A1 | Pyridine Analogues VI | P2RY12, P2RY6, P2RY11 | GAA 3542/4885SMN1; SMN2 3348/4885MGAM 3402/4885 |
| US-20090186876-A1 | Pyridine Analogues II | P2RY12, P2RY11, P2RY6 | GAA 3613/4885SMN1; SMN2 3657/4885MGAM 3173/4885 |
“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.