Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.32 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22143470 | 0.81 | ALDH1A1 (0.46) | DGAT1PTGS2PTGS1STIM1ORAI1 | |
| SCHEMBL25516552 | 0.76 | DGAT1 (0.36) | DGAT1PTGS2PTGS1STIM1ORAI1 | |
| SCHEMBL20710061 | 0.76 | DGAT1 (0.36) | DGAT1PTGS2PTGS1STIM1ORAI1 | |
| SCHEMBL13274541 | 0.75 | RPS6KB1 (0.50) | RPS6KB1GSK3BTLR7POLBALDH1A1 | |
| SCHEMBL31625051 | 0.74 | DGAT1 (0.39) | DGAT1PTGS2PTGS1 | |
| SCHEMBL31537627 | 0.74 | DGAT1 (0.39) | DGAT1ACHEPTGS2PTGS1 | |
| SCHEMBL15484840 | 0.72 | KDM4E (0.44) | POLBPTGS2PTGS1ALDH1A1TSHR | |
| SCHEMBL23234037 | 0.72 | PTGS2 (0.34) | PTGS2PTGS1STIM1ORAI1CYP3A4 | |
| SCHEMBL25463476 | 0.69 | CYP3A4 (0.35) | DGAT1CYP3A4CYP2D6TSHRCRHBP | |
| SCHEMBL17198879 | 0.69 | HTT (0.38) | DGAT1PTGS2PTGS1STIM1ORAI1 |
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-11028078-B2 | Itraconazole analogs and use thereof | THE JOHNS HOPKINS UNIVERSITY (US) | 2021-06-08 | — | — | US | disclosed |
| US-20190040046-A1 | ITRACONAZOLE ANALOGS AND USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-02-07 | — | — | 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 (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-20190040046-A1 | ITRACONAZOLE ANALOGS AND USE THEREOF | SHH, GLI1, KDR | RPS6KB1 1184/4885GSK3B 704/4885DGAT1 1769/4885 |
| US-11028078-B2 | Itraconazole analogs and use thereof | SHH, GLI1, KDR | RPS6KB1 1184/4885GSK3B 704/4885DGAT1 1769/4885 |
“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.