Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 17/20 | 0.54 |
| ▸ | CDK1 | P06493 | 2/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.50 |
| ▸ | CDK7 | P50613 | 2/20 | 0.50 |
| ▸ | CCNH | P51946 | 2/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.50 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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) | IDH1ALDH1A1GAAGFERSMN1; SMN2 | |
| SCHEMBL7533155 | 0.86 | CYP3A4 (0.52) | IDH1ALDH1A1GAAGFERSMN1; SMN2 | |
| SCHEMBL7538577 | 0.79 | MAPT (0.56) | IDH1ALDH1A1 | |
| SCHEMBL7536529 | 0.78 | SMN1; SMN2 (0.51) | IDH1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7534913 | 0.77 | CES1 (0.60) | ALDH1A1GAA | |
| SCHEMBL24876741 | 0.75 | LMNA (0.76) | IDH1GAA | |
| SCHEMBL7534904 | 0.75 | PKM (0.45) | IDH1ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL7528137 | 0.75 | ALDH1A1 (0.72) | IDH1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL7543179 | 0.73 | PKM (0.62) | IDH1ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL15647028 | 0.72 | IDH1 (0.66) | IDH1CDK1CCNB1CCNA2CDK2 |
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 4 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-20140249150-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | AGIOS PHARMACEUTICALS, INC (US) | 2014-09-04 | — | — | 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 (3 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 | IDH1 651/4885CDK1 450/4885CCNB1 1993/4885 |
| US-20140249150-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | IDH1 681/4885CDK1 1275/4885CCNB1 3312/4885 |
| US-20170007608-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | IDH1 681/4885CDK1 1275/4885CCNB1 3312/4885 |
“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.