Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL3310519 | 0.83 | HSP90AA1 (0.65) | HSP90AA1KDM4EHSP90AB1 | |
| SCHEMBL3310440 | 0.81 | HSP90AA1 (0.42) | HSP90AA1ALDH1A1KDM4EGAASMN1; SMN2 | |
| SCHEMBL13328105 | 0.77 | CYP1A1 (0.40) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL13472834 | 0.77 | KCNN4 (0.36) | HSP90AA1ALDH1A1KDM4EGAASMN1; SMN2 | |
| SCHEMBL3310378 | 0.77 | KDM4E (0.43) | ALDH1A1KDM4ESMN1; SMN2LMNATSHR | |
| SCHEMBL1629937 | 0.76 | HSP90AA1 (0.45) | HSP90AA1SMN1; SMN2HSP90AB1KCNN4CYP19A1 | |
| SCHEMBL4940573 | 0.72 | HSP90AA1 (0.45) | HSP90AA1KDM4EGAASMN1; SMN2LMNA | |
| SCHEMBL4936564 | 0.68 | ALDH1A1 (0.43) | HSP90AA1ALDH1A1KDM4ELMNA | |
| SCHEMBL645256 | 0.68 | HSP90AA1 (0.63) | HSP90AA1GAATDP1HSP90AB1 | |
| SCHEMBL644635 | 0.68 | HSP90AA1 (0.51) | HSP90AA1ALDH1A1SMN1; SMN2HSP90AB1KCNN4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8816070-B2 | Triazole derivative as an HSP 90 inhibitor | MERCK PATENT GMBH (DE) | 2014-08-26 | — | — | US | disclosed |
| US-8816070-B2 | Triazole derivative as an HSP 90 inhibitor | MERCK PATENT GMBH (DE) | 2014-08-26 | — | — | US | disclosed |
| EP-2102175-B1 | TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR | MERCK PATENT GMBH (DE) | 2014-01-22 | — | — | EP | disclosed |
| EP-1853570-B1 | HSP90-INHIBITING TRIAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-10-24 | — | — | EP | disclosed |
| US-20100113542-A1 | TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR | MERCK PATENT GESELLSCHAFT (DE) | 2010-05-06 | — | — | US | disclosed |
| US-20100113542-A1 | TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR | MERCK PATENT GESELLSCHAFT (DE) | 2010-05-06 | — | — | US | disclosed |
| US-20080182857-A1 | Triazole Derivatives | MERCK PATENT GMBH (DE) | 2008-07-31 | — | — | US | disclosed |
| US-20080182857-A1 | Triazole Derivatives | MERCK PATENT GMBH (DE) | 2008-07-31 | — | — | US | disclosed |
| WO-2008086857-A1 | TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR | MERCK PATENT GMBH (DE) | 2008-07-24 | — | — | 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 (2 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 | HSP90AA1 2/4885ALDH1A1 1580/4885KDM4E 3777/4885 |
| US-20100113542-A1 | TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR | HSP90AB1, HSP90AB2P, HSP90AA1 | HSP90AA1 3/4885ALDH1A1 2230/4885KDM4E 2706/4885 |
“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.