Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4581642 | 0.79 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL14177840 | 0.79 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL14197322 | 0.69 | HSP90AA1 (0.43) | HSP90AA1HSP90B1FFAR4CD274MAPK8 | |
| SCHEMBL26628779 | 0.66 | KDM4E (0.56) | LRRK2PRMT5WDR77 | |
| SCHEMBL3418050 | 0.63 | HTR6 (0.57) | FFAR4GPR119 | |
| SCHEMBL17559356 | 0.62 | CXCR2 (0.46) | LRRK2 | |
| SCHEMBL6157022 | 0.62 | LRRK2 (0.46) | KCNH2LRRK2 | |
| SCHEMBL4581868 | 0.62 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL17766564 | 0.62 | JAK1 (0.45) | HSP90AA1HSP90AB1HSP90B1TRAP1KCNH2 | |
| SCHEMBL6153322 | 0.61 | FLT3 (0.47) | PTK2BSYKALKFLT3MAPK8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160311795-A1 | PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 | CALASIA PHARMACEUTICALS, INC. | 2016-10-27 | — | — | US | disclosed |
| US-20160311795-A1 | PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 | CALASIA PHARMACEUTICALS, INC. | 2016-10-27 | — | — | 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-20160311795-A1 | PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 | HSP90B1, HSP90AB2P, HSPE1 | HSP90AA1 5/4885HSP90AB1 4/4885HSP90B1 1/4885 |
“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.