Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | WDR5 | P61964 | 1/20 | 0.47 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.47 |
| ▸ | CCR4 | P51679 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7533432 | 0.91 | ALDH1A1 (0.53) | TP53ALDH1A1USP2TSHRLMNA | |
| SCHEMBL7534833 | 0.89 | ALDH1A1 (0.53) | TP53ALDH1A1USP2TSHRLMNA | |
| SCHEMBL7501770 | 0.88 | TP53 (0.55) | TP53ALDH1A1USP2TSHRMEN1 | |
| SCHEMBL7528355 | 0.87 | ALDH1A1 (0.58) | TP53ALDH1A1USP2TSHRLMNA | |
| SCHEMBL7536317 | 0.84 | TP53 (0.71) | TP53ALDH1A1USP2TSHRLMNA | |
| SCHEMBL7499285 | 0.83 | BRD4 (0.61) | TP53ALDH1A1USP2TSHRMEN1 | |
| SCHEMBL7501360 | 0.82 | BRD4 (0.57) | TP53ALDH1A1USP2TSHRMEN1 | |
| SCHEMBL7507552 | 0.82 | TSHR (0.59) | TP53ALDH1A1USP2TSHRMEN1 | |
| SCHEMBL7500569 | 0.81 | KMT2A (0.59) | TP53ALDH1A1TSHRLMNAMEN1 | |
| SCHEMBL7542496 | 0.81 | PKM (0.69) | TP53ALDH1A1USP2TSHRLMNA |
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 | TP53 302/4885ALDH1A1 1326/4885USP2 3697/4885 |
| US-20140249150-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | TP53 722/4885ALDH1A1 1390/4885USP2 2751/4885 |
| US-20170007608-A1 | ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE | PDK1, PC, PDK2 | TP53 722/4885ALDH1A1 1390/4885USP2 2751/4885 |
“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.