Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.36 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 4/20 | 0.35 |
| ▸ | SLC16A1 | P53985 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1631603 | 0.92 | HSP90AA1 (0.37) | HSP90AA1ALDH1A1NR3C2SLC16A3SLC16A1 | |
| SCHEMBL1630393 | 0.90 | HSP90AA1 (0.38) | HSP90AA1NR3C2SLC16A3SLC16A1KCNN4 | |
| SCHEMBL1630004 | 0.90 | HSP90AA1 (0.38) | HSP90AA1ALDH1A1NR3C2SLC16A3SLC16A1 | |
| SCHEMBL1630395 | 0.89 | HSP90AA1 (0.35) | HSP90AA1ALDH1A1NR3C2SLC16A3SLC16A1 | |
| SCHEMBL1216917 | 0.88 | MAPT (0.44) | HSP90AA1KDM4EALDH1A1HTTSLC16A3 | |
| SCHEMBL1630370 | 0.88 | HSP90AA1 (0.38) | HSP90AA1NR3C2SLC16A3SLC16A1KCNN4 | |
| SCHEMBL1631566 | 0.88 | TSHR (0.44) | HSP90AA1ALDH1A1NR3C2SLC16A3SLC16A1 | |
| SCHEMBL1628570 | 0.88 | HSP90AA1 (0.39) | HSP90AA1ALDH1A1NR3C2SLC16A3SLC16A1 | |
| SCHEMBL1629889 | 0.86 | HSP90AA1 (0.43) | HSP90AA1ALDH1A1NR3C2SLC16A3SLC16A1 | |
| SCHEMBL1630236 | 0.85 | ALDH1A1 (0.41) | HSP90AA1KDM4EALDH1A1SLC16A3SLC16A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
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 2/4885KDM4E 3577/4885ALDH1A1 777/4885 |
“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.