Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.77 |
| ▸ | USP2 | O75604 | 11/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.77 |
| ▸ | MAPT | P10636 | 6/20 | 0.77 |
| ▸ | TP53 | P04637 | 4/20 | 0.77 |
| ▸ | LMNA | P02545 | 3/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.77 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.75 |
| ▸ | MIF | P14174 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.52 |
| ▸ | SLCO1B1 | Q9Y6L6 | 2/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Deacetylgedunin SCHEMBL10019480 | 0.87 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| Gedunin SCHEMBL16731398 | 0.86 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| Gedunin SCHEMBL10019479 | 0.86 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| Gedunin SCHEMBL17603575 | 0.86 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| Gedunin SCHEMBL14197009 | 0.86 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| Gedunin SCHEMBL23134885 | 0.86 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| Gedunin SCHEMBL598969 | 0.86 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| Gedunin SCHEMBL12664640 | 0.86 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| Gedunin SCHEMBL12998444 | 0.86 | CYP3A4 (1.00) | CYP3A4USP2SMN1; SMN2MAPTTP53 | |
| SCHEMBL14224617 | 0.83 | CYP3A4 (0.53) | CYP3A4USP2SMN1; SMN2MAPTTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110263693-A1 | CELASTROL, GEDUNIN, AND DERIVATIVES THEREOF AS HSP90 INHIBITORS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-10-27 | — | — | US | disclosed |
| US-20110263693-A1 | CELASTROL, GEDUNIN, AND DERIVATIVES THEREOF AS HSP90 INHIBITORS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-10-27 | — | — | US | disclosed |
| WO-2007117466-A2 | CELASTROL, GEDUNIN, AND DERIVATIVES THEREOF AS HSP90 INHIBITORS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2007-10-18 | — | — | 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-20110263693-A1 | CELASTROL, GEDUNIN, AND DERIVATIVES THEREOF AS HSP90 INHIBITORS | HSP90AA1, HSP90AB1, HSP90AB2P | CYP3A4 2427/4885USP2 2830/4885SMN1; SMN2 4755/4885 |
“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.