Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ALPL | P05186 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALPI | P09923 | 2/20 | 0.50 |
| ▸ | ALPG | P10696 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL7501888 | 0.96 | ALDH1A1 (0.54) | ALDH1A1TP53SMN1; SMN2POLBGAA | |
| SCHEMBL7542642 | 0.79 | ACLY (0.43) | TP53SMN1; SMN2POLBGAATDP1 | |
| SCHEMBL7500575 | 0.79 | MEN1 (0.59) | ALDH1A1SMN1; SMN2POLBGAATHRB | |
| SCHEMBL7506867 | 0.76 | TP53 (0.66) | ALDH1A1TP53SMN1; SMN2POLBGAA | |
| SCHEMBL7501817 | 0.75 | POLB (0.57) | ALDH1A1SMN1; SMN2POLBGAATDP1 | |
| SCHEMBL7501872 | 0.74 | ALDH1A1 (0.55) | ALDH1A1TP53SMN1; SMN2GAAMAPT | |
| SCHEMBL29999104 | 0.73 | KMO (0.66) | ALDH1A1SMN1; SMN2POLBMAPTALPL | |
| SCHEMBL7501844 | 0.72 | BRD4 (0.61) | ALDH1A1TP53POLBGAATDP1 | |
| SCHEMBL7534508 | 0.72 | CCR2 (0.51) | PKM | |
| SCHEMBL2263708 | 0.70 | ALDH1A1 (0.61) | ALDH1A1TP53SMN1; SMN2GAALMNA |
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 | ALDH1A1 1326/4885TP53 302/4885SMN1; SMN2 4240/4885 |
| US-20140249150-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | ALDH1A1 1390/4885TP53 722/4885SMN1; SMN2 1229/4885 |
| US-20170007608-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | ALDH1A1 1390/4885TP53 722/4885SMN1; SMN2 1229/4885 |
“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.