Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.67 |
| ▸ | HSP90AB1 | P08238 | 11/20 | 0.67 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.67 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17897956 | 0.94 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1ERBB2HSP90B1ADORA3 | |
| SCHEMBL17900222 | 0.89 | HSP90AA1 (0.68) | HSP90AA1HSP90AB1ERBB2ADORA3ADORA2A | |
| SCHEMBL17897955 | 0.83 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1ERBB2ADORA3ADORA2A | |
| SCHEMBL14456059 | 0.81 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B | |
| SCHEMBL21861885 | 0.80 | HSP90B1 (0.73) | HSP90AA1HSP90AB1ERBB2HSP90B1 | |
| SCHEMBL2604975 | 0.80 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B | |
| SCHEMBL17897894 | 0.75 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1ERBB2MEN1SLC22A1 | |
| SCHEMBL10149976 | 0.75 | HSP90AA1 (0.89) | HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B | |
| SCHEMBL1964163 | 0.72 | HSP90AA1 (0.86) | HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B | |
| SCHEMBL14044861 | 0.71 | HSP90AA1 (0.83) | HSP90AA1HSP90AB1ERBB2ADORA2AADORA2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230123747-A1 | SELECTIVE GRP94 INHIBITORS AND USES THEREOF | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2023-04-20 | — | — | US | disclosed |
| US-20200102312-A1 | SELECTIVE GRP94 INHIBITORS AND USES THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER | 2020-04-02 | — | — | US | disclosed |
| US-10421758-B2 | Selective Grp94 inhibitors and uses thereof | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2019-09-24 | — | — | US | disclosed |
| US-20160194328-A1 | SELECTIVE GRP94 INHIBITORS AND USES THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER | 2016-07-07 | — | — | 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 (4 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-20160194328-A1 | SELECTIVE GRP94 INHIBITORS AND USES THEREOF | HSP90B1, HSP90AB2P, HSPE1 | HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885 |
| US-10421758-B2 | Selective Grp94 inhibitors and uses thereof | HSP90B1, HSP90AB2P, HSPE1 | HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885 |
| US-20200102312-A1 | SELECTIVE GRP94 INHIBITORS AND USES THEREOF | HSP90B1, HSP90AB2P, HSPE1 | HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885 |
| US-20230123747-A1 | SELECTIVE GRP94 INHIBITORS AND USES THEREOF | HSP90B1, HSP90AB2P, HSPE1 | HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885 |
“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.