Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | BRD2 | P25440 | 1/20 | 0.44 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7534450 | 0.86 | PKM (0.59) | CYP3A4CYP2C19MAPTALDH1A1GAA | |
| SCHEMBL7541422 | 0.86 | IDH1 (0.54) | ALDH1A1GAAGFERSMN1; SMN2IDH1 | |
| SCHEMBL4365231 | 0.81 | CYP3A4 (0.68) | CYP3A4CYP2C19MAPTHSD17B2ALDH1A1 | |
| SCHEMBL7536529 | 0.81 | SMN1; SMN2 (0.51) | MAPTALDH1A1SMN1; SMN2IDH1MEN1 | |
| SCHEMBL7543179 | 0.81 | PKM (0.62) | MAPTALDH1A1GAASMN1; SMN2IDH1 | |
| SCHEMBL7534904 | 0.80 | PKM (0.45) | HSD17B2ALDH1A1GAASMN1; SMN2IDH1 | |
| SCHEMBL16002516 | 0.80 | GAA (0.62) | CYP3A4CYP2C19MAPTHSD17B2ALDH1A1 | |
| SCHEMBL633994 | 0.72 | ALDH1A1 (0.68) | CYP3A4CYP2C19MAPTALDH1A1IDH1 | |
| SCHEMBL7822430 | 0.71 | KMT2A (0.54) | CYP3A4CYP2C19MAPTHSD17B2ALDH1A1 | |
| SCHEMBL3319329 | 0.71 | MAPT (0.59) | CYP3A4CYP2C19MAPTALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170007608-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | AGIOS PHARMACEUTICALS INC (US) | 2017-01-12 | — | — | US | disclosed |
| US-8501953-B2 | PKM2 modulators for use in the treatment of cancer | AGIOS PHARMACEUTICALS, INC (US) | 2013-08-06 | — | — | US | disclosed |
| US-20120122849-A1 | PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER | AGIOS PHARMACEUTICALS, INC. | 2012-05-17 | — | — | 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-20120122849-A1 | PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER | PDK2, PDK1, PDK3 | CYP3A4 1423/4885CYP2C19 2590/4885MAPT 3769/4885 |
| US-20170007608-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | CYP3A4 4630/4885CYP2C19 4798/4885MAPT 2681/4885 |
“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.