Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.51 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27675342 | 0.84 | HSP90AA1 (0.42) | HSP90AA1NR3C2POLBGAA | |
| SCHEMBL1630434 | 0.84 | HSP90AA1 (0.60) | HSP90AA1NR3C2ESR1ESR2 | |
| SCHEMBL1630156 | 0.82 | HSP90AA1 (0.49) | HSP90AA1NR3C2ESR1ESR2HSP90AB1 | |
| SCHEMBL1631545 | 0.81 | HSP90AA1 (0.47) | HSP90AA1NR3C2ESR1ESR2 | |
| SCHEMBL1631613 | 0.78 | HSP90AA1 (0.46) | HSP90AA1TSHR | |
| SCHEMBL1629044 | 0.77 | HSP90AA1 (0.40) | HSP90AA1NR3C2ESR1ESR2POLB | |
| SCHEMBL1629695 | 0.76 | ALDH1A1 (0.47) | HSP90AA1KDM4EGAATSHR | |
| SCHEMBL1627411 | 0.75 | NPC1 (0.44) | HSP90AA1NR3C2KDM4EGAATSHR | |
| SCHEMBL1631570 | 0.75 | HSP90AA1 (0.46) | HSP90AA1NR3C2HSP90AB1 | |
| SCHEMBL1631616 | 0.72 | HSP90AA1 (0.44) | HSP90AA1NR3C2ESR1ESR2HSP90AB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776346-B1 | 1,5-Diphenylpyrazoles | MERCK PATENT GMBH (DE) | 2013-06-26 | — | — | EP | disclosed |
| 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 |
| CN-101006061-A | 1,5-diphenylpyrazoles | MERCK PATENT GMBH (DE) | 2007-07-25 | — | — | CN | disclosed |
| EP-1776346-A1 | 1,5-DIPHENYLPYRAZOLES | Merck Patent GmbH (DE) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006018082-A1 | 1,5-DIPHENYLPYRAZOLES | MERCK PATENT GMBH (DE) | 2006-02-23 | — | — | 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-20080085904-A1 | 1,5-Diphenylpyrazoles | HSP90AB1, HSP90AA1, HSP90AB2P | HSP90AA1 2/4885NR3C2 558/4885ESR1 2538/4885 |
“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.