Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL932177 | 0.86 | ESR1 (0.48) | ESR1HSP90AA1NOTUMAMY1APRKCZ | |
| SCHEMBL4940434 | 0.84 | ACHE (0.41) | ESR1HSP90AA1NOTUMPRKCZOPRD1 | |
| SCHEMBL4938798 | 0.84 | MAOA (0.39) | ESR1HSP90AA1AMY1A | |
| SCHEMBL4933212 | 0.83 | ESR1 (0.50) | ESR1HSP90AA1NOTUMPRKCZ | |
| SCHEMBL4939706 | 0.80 | HSP90AA1 (0.41) | ESR1HSP90AA1OPRD1 | |
| SCHEMBL930881 | 0.80 | HSP90AA1 (0.50) | ESR1HSP90AA1RXRAGRIN1GRIN2B | |
| SCHEMBL4936858 | 0.77 | HSP90AA1 (0.60) | ESR1HSP90AA1 | |
| SCHEMBL8931041 | 0.77 | HSP90AA1 (0.40) | ESR1HSP90AA1AMY1A | |
| SCHEMBL4939682 | 0.77 | ESR1 (0.48) | ESR1HSP90AA1ESR2 | |
| SCHEMBL8930451 | 0.76 | HPGD (0.60) | ESR1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080182857-A1 | Triazole Derivatives | MERCK PATENT GMBH (DE) | 2008-07-31 | — | — | US | claimed |
| US-8618285-B2 | Triazole derivatives | MERCK PATENT GMBH (DE) | 2013-12-31 | — | — | US | disclosed |
| EP-1853570-B1 | HSP90-INHIBITING TRIAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-10-24 | — | — | EP | disclosed |
| US-20080182857-A1 | Triazole Derivatives | MERCK PATENT GMBH (DE) | 2008-07-31 | — | — | US | disclosed |
| EP-1853570-A2 | HSP90-INHIBITING TRIAZOLE DERIVATIVES | Merck Patent GmbH (DE) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006087077-A2 | HSP90-INHIBITING TRIAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2006-08-24 | — | — | 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-20080182857-A1 | Triazole Derivatives | HSP90AB1, HSP90AA1, HSP90B1 | ESR1 2460/4885HSP90AA1 2/4885NOTUM 4417/4885 |
“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.