Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.62 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10254685 | 0.94 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1DHFR | |
| Hydrochloric Acid SCHEMBL15091333 | 0.93 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL15099529 | 0.92 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL10255660 | 0.91 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1 | |
| SCHEMBL901996 | 0.90 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL902130 | 0.89 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL10253669 | 0.89 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL902066 | 0.89 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1DHFR | |
| Hydrochloric Acid SCHEMBL15091516 | 0.88 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL904184 | 0.88 | HSP90AA1 (0.68) | HSP90AA1HSP90AB1DHFR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130178443-A1 | PHENYLQUINAZOLINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-07-11 | — | — | 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-20130178443-A1 | PHENYLQUINAZOLINE DERIVATIVES | HSP90B1, HSP90AB1, HSP90AA1 | HSP90AA1 3/4885HSP90AB1 2/4885DHFR 2936/4885 |
“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.