Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE11A | Q9HCR9 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.36 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1630247 | 0.84 | HSP90AA1 (0.56) | PDE11AALDH1A1HSP90AA1HCRTR1HCRTR2 | |
| SCHEMBL1630236 | 0.78 | ALDH1A1 (0.41) | PDE11AALDH1A1HSP90AA1CYP2C9TSHR | |
| SCHEMBL1630004 | 0.78 | HSP90AA1 (0.38) | PDE11AALDH1A1RAB9AHSP90AA1NR3C2 | |
| SCHEMBL1628606 | 0.77 | HSP90AA1 (0.41) | PDE11ANPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL1629896 | 0.77 | KCNN4 (0.44) | HSP90AA1NR3C2MAPTSLC16A3SLC16A1 | |
| SCHEMBL1629564 | 0.77 | HSP90AA1 (0.44) | ALDH1A1HSP90AA1NR3C2MAPTSLC16A3 | |
| SCHEMBL1630418 | 0.76 | HSP90AA1 (0.41) | PDE11AALDH1A1HSD17B10HSP90AA1NR3C2 | |
| SCHEMBL1630297 | 0.76 | HSP90AA1 (0.41) | NPC1ALDH1A1HPGDRAB9AHSP90AA1 | |
| SCHEMBL1630560 | 0.76 | HSP90AA1 (0.40) | ALDH1A1HPGDHSP90AA1NR3C2MAPT | |
| SCHEMBL1219165 | 0.75 | HSP90AA1 (0.40) | ALDH1A1HSD17B10HSP90AA1NR3C2TSHR |
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 | PDE11A 4692/4885NPC1 855/4885ALDH1A1 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.