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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL556760 | 0.97 | CTSK (0.44) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL14850864 | 0.86 | ITGB3 (0.46) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL14850692 | 0.85 | ITGB3 (0.47) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL14850855 | 0.85 | ITGB3 (0.47) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL23845159 | 0.83 | HRH2 (0.48) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL1707105 | 0.83 | CTSK (0.54) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL1706616 | 0.83 | CTSK (0.54) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL9718051 | 0.83 | HRH2 (0.48) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL1706617 | 0.83 | CTSK (0.54) | CTSKCTSLCTSBITGB3ITGA2B | |
| SCHEMBL14850788 | 0.82 | ITGB3 (0.45) | CTSKCTSLCTSBITGB3ITGA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020198205-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-26 | — | — | 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-20020198205-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP3, DPP7 | CTSK 1355/4885CTSL 639/4885CTSB 1565/4885 |
“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.