Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKLR | P30613 | 12/20 | 0.83 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16084080 | 0.91 | PKLR (1.00) | PKLRRXFP1ALDH1A1CYP3A4GAA | |
| SCHEMBL15713683 | 0.90 | PKLR (0.67) | PKLRRXFP1ALDH1A1ARGAA | |
| SCHEMBL15713924 | 0.86 | PKLR (0.84) | PKLRALDH1A1GAASMN1; SMN2 | |
| SCHEMBL15713346 | 0.86 | PKLR (0.82) | PKLRPGR | |
| SCHEMBL15713609 | 0.84 | PKLR (0.63) | PKLRALDH1A1PGR | |
| SCHEMBL15713676 | 0.82 | PKLR (0.84) | PKLR | |
| SCHEMBL15713345 | 0.81 | PKLR (0.69) | PKLRALDH1A1GAASMN1; SMN2 | |
| SCHEMBL15713606 | 0.81 | PKLR (0.81) | PKLRALDH1A1ARGAASMN1; SMN2 | |
| SCHEMBL16083871 | 0.80 | PKLR (0.82) | PKLRRXFP1ALDH1A1CYP3A4GAA | |
| SCHEMBL15713928 | 0.80 | PKLR (0.82) | PKLRALDH1A1 |
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-9458132-B2 | Therapeutic compounds and compositions and their use as PKM2 modulators | AGIOS PHARMACEUTICALS, INC (US) | 2016-10-04 | — | — | US | disclosed |
| US-20150307473-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS | AGIOS PHARMACEUTICALS, INC (US) | 2015-10-29 | — | — | US | disclosed |
| WO-2014074848-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS | AGIOS PHARMACEUTICALS, INC. (US) | 2014-05-15 | — | — | 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-20150307473-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS | PDK1, PDK2, PDK3 | PKLR 12/4885RXFP1 2694/4885ALDH1A1 1314/4885 |
“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.