Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 4/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | BRPF1 | P55201 | 3/20 | 0.45 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.45 |
| ▸ | BRD1 | O95696 | 2/20 | 0.45 |
| ▸ | BRPF3 | Q9ULD4 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7506867 | 0.86 | TP53 (0.66) | ALDH1A1TP53SMN1; SMN2HTTPKM | |
| SCHEMBL7502554 | 0.85 | ALDH1A1 (0.52) | ALDH1A1USP2TP53LMNAHTT | |
| SCHEMBL7500864 | 0.84 | ALDH1A1 (0.56) | ALDH1A1USP2TP53LMNASMN1; SMN2 | |
| SCHEMBL7535895 | 0.83 | ALDH1A1 (0.77) | ALDH1A1USP2TP53LMNASMN1; SMN2 | |
| SCHEMBL7508107 | 0.82 | TSHR (0.47) | ALDH1A1USP2SMN1; SMN2PKMTSHR | |
| SCHEMBL7528355 | 0.80 | ALDH1A1 (0.58) | ALDH1A1USP2TP53LMNATSHR | |
| SCHEMBL7539766 | 0.77 | MEN1 (0.56) | ALDH1A1USP2TP53LMNASMN1; SMN2 | |
| SCHEMBL7502611 | 0.76 | BRD4 (0.58) | ALDH1A1USP2TP53LMNAHTT | |
| SCHEMBL7501888 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TP53KEAP1NFE2L2LMNA | |
| SCHEMBL7542434 | 0.75 | ALDH1A1 (0.59) | ALDH1A1USP2TP53LMNASMN1; SMN2 |
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 8 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-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-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-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 |
| 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 1326/4885USP2 3697/4885TP53 302/4885 |
| US-20140249150-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | ALDH1A1 1390/4885USP2 2751/4885TP53 722/4885 |
| US-20170007608-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | ALDH1A1 1390/4885USP2 2751/4885TP53 722/4885 |
“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.