Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | PKM | P14618 | 6/20 | 0.68 |
| ▸ | GLA | P06280 | 3/20 | 0.68 |
| ▸ | GAA | P10253 | 3/20 | 0.68 |
| ▸ | NT5E | P21589 | 1/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | EGFR | P00533 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL14133770 | 0.91 | KDM4E (0.83) | KDM4EALDH1A1PKMGLAGAA | |
| SCHEMBL14133630 | 0.91 | KDM4E (0.83) | PTGS2KDM4EALDH1A1PKMGLA | |
| SCHEMBL14133875 | 0.89 | PTGS2 (0.74) | PTGS2KDM4EALDH1A1PKMGLA | |
| SCHEMBL14133779 | 0.89 | ALDH1A1 (0.73) | KDM4EALDH1A1PKMGLAGAA | |
| SCHEMBL14058294 | 0.88 | PTGS2 (0.77) | PTGS2KDM4EALDH1A1PKMNT5E | |
| SCHEMBL14133539 | 0.88 | ALDH1A1 (0.75) | PTGS2KDM4EALDH1A1PKMGLA | |
| SCHEMBL14057894 | 0.88 | PTGS2 (0.70) | PTGS2KDM4EALDH1A1PKMGLA | |
| SCHEMBL14058664 | 0.85 | PTGS2 (0.71) | PTGS2KDM4EALDH1A1PKMGLA | |
| SCHEMBL14058665 | 0.85 | PTGS2 (0.71) | PTGS2KDM4EALDH1A1PKMGLA | |
| SCHEMBL14133931 | 0.84 | KMT2A (0.64) | KDM4EALDH1A1PKMGLAGAA |
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-20120302609-A1 | Pyrazolines for the Modulation of PKM2 | DYNAMIX PHARMACEUTICALS LTD. (IL) | 2012-11-29 | — | — | US | disclosed |
| US-20120302609-A1 | Pyrazolines for the Modulation of PKM2 | DYNAMIX PHARMACEUTICALS LTD. (IL) | 2012-11-29 | — | — | US | disclosed |
| WO-2012160447-A1 | 3, 5 -DIPHENYL- SUBSTITUTED PYRAZOLINES FOR THE TREATMENT OF CANCER, PROLIFERATIVE, INFLAMMATORY OR AUTOIMMUNE DISEASES | DYNAMIX PHARMACEUTICALS LTD. (IL) | 2012-11-29 | — | — | 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-20120302609-A1 | Pyrazolines for the Modulation of PKM2 | PDK2, PDK4, PDK3 | PTGS2 1275/4885KDM4E 376/4885ALDH1A1 2476/4885 |
“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.