Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.74 |
| ▸ | RAB9A | P51151 | 2/20 | 0.74 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.70 |
| ▸ | CA1 | P00915 | 6/20 | 0.66 |
| ▸ | CA2 | P00918 | 6/20 | 0.66 |
| ▸ | CA9 | Q16790 | 5/20 | 0.66 |
| ▸ | CA12 | O43570 | 4/20 | 0.66 |
| ▸ | CA4 | P22748 | 2/20 | 0.66 |
| ▸ | MAOA | P21397 | 2/20 | 0.66 |
| ▸ | MAOB | P27338 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | EGFR | P00533 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL14058333 | 0.95 | PTGS2 (0.77) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14057861 | 0.92 | PTGS2 (0.67) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14136240 | 0.91 | PTGS2 (0.72) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14136237 | 0.91 | NT5E (0.66) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14058334 | 0.91 | PTGS2 (0.71) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14058704 | 0.91 | PTGS2 (0.71) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14058045 | 0.91 | PTGS2 (0.71) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14058030 | 0.91 | PTGS2 (0.71) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14058025 | 0.91 | NPC1 (0.78) | NPC1RAB9APTGS2CA1CA2 | |
| SCHEMBL14058605 | 0.91 | PTGS2 (0.71) | NPC1RAB9APTGS2CA1CA2 |
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 5 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 |
| 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 | NPC1 3749/4885RAB9A 3384/4885PTGS2 1275/4885 |
“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.