Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | HAAO | P46952 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 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 | |
|---|---|---|---|---|
| SCHEMBL1482064 | 0.86 | CYP3A4 (0.37) | CYP3A4TRPA1HAAOCYP1A2ALDH1A1 | |
| SCHEMBL4431002 | 0.81 | CYP3A4 (0.34) | CYP3A4TRPA1ALDH1A1GABRA1GABRB2 | |
| SCHEMBL27625555 | 0.81 | CYP3A4 (0.36) | CYP3A4TRPA1HAAOCYP1A2ALDH1A1 | |
| SCHEMBL3771988 | 0.79 | KDM4E (0.52) | CYP3A4TRPA1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL16707396 | 0.78 | CYP3A4 (0.46) | CYP3A4TRPA1ALDH1A1HPGDGABRA1 | |
| SCHEMBL27999513 | 0.78 | CYP3A4 (0.39) | CYP3A4TRPA1ALDH1A1GABRA1GABRB2 | |
| SCHEMBL295649 | 0.76 | CYP3A4 (0.50) | CYP3A4TRPA1ALDH1A1HPGDGABRA1 | |
| SCHEMBL27373461 | 0.74 | CYP3A4 (0.44) | CYP3A4TRPA1HAAOCYP1A2ALDH1A1 | |
| SCHEMBL10661215 | 0.74 | CYP3A4 (0.40) | CYP3A4TRPA1ALDH1A1KDM4EHPGD | |
| SCHEMBL9015287 | 0.74 | CYP3A4 (0.36) | CYP3A4TRPA1GABRA1GABRB2 |
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-20130053407-A1 | PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK | GLAXOSMITHKLINE LLC (US) | 2013-02-28 | — | — | 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-20130053407-A1 | PYRROLO [3,2-D] PYRIMIDIN-3-YL DERIVATIVES USED AS ACTIVATORS OF AMPK | PRKAG2, PRKAB2, PRKAG3 | CYP3A4 2255/4885TRPA1 3733/4885HAAO 3857/4885 |
“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.