Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1219068 | 0.85 | HSP90AA1 (0.45) | HSP90AA1NR3C2PDE10ALMNAALDH1A1 | |
| SCHEMBL1629564 | 0.84 | HSP90AA1 (0.44) | HSP90AA1NR3C2PDE10AHTR2AHTR2C | |
| SCHEMBL1631531 | 0.84 | HSP90AA1 (0.62) | HSP90AA1NR3C2PDE10AHTR2B | |
| SCHEMBL1630306 | 0.82 | ALDH1A1 (0.41) | HSP90AA1NR3C2L3MBTL1LMNAHTT | |
| SCHEMBL1629555 | 0.81 | PDE10A (0.48) | HSP90AA1PDE10ALMNAALDH1A1MEN1 | |
| SCHEMBL1631623 | 0.80 | P2RX7 (0.42) | HSP90AA1NR3C2HTR2AHTR2CKDM5A | |
| SCHEMBL1631549 | 0.79 | NPBWR1 (0.41) | HSP90AA1PDE10AALDH1A1 | |
| SCHEMBL12722868 | 0.78 | AADAT (0.38) | HSP90AA1NR3C2PDE10ALMNA | |
| SCHEMBL27743220 | 0.76 | NR3C2 (0.42) | HSP90AA1NR3C2PDE10AALDH1A1KDM5A | |
| SCHEMBL27763829 | 0.75 | NR3C2 (0.43) | HSP90AA1NR3C2HTR2AHTR2CL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7932401-B2 | Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant | MERCK PATENT GMBH (DE) | 2011-04-26 | — | — | US | disclosed |
| US-20080085904-A1 | 1,5-Diphenylpyrazoles | MERCK PATENT GMBH (DE) | 2008-04-10 | — | — | 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 (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-20080085904-A1 | 1,5-Diphenylpyrazoles | HSP90AB1, HSP90AA1, HSP90AB2P | HSP90AA1 2/4885NR3C2 558/4885PDE10A 3756/4885 |
“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.