Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.67 |
| ▸ | FYN | P06241 | 2/20 | 0.67 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.67 |
| ▸ | HTR2A | P28223 | 2/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | PGR | P06401 | 1/20 | 0.67 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.67 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.67 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL23467326 | 1.00 | CYP3A4 (0.67) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL24179865 | 0.94 | CYP3A4 (0.75) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL16975620 | 0.94 | CYP3A4 (0.75) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL1152599 | 0.91 | CYP3A4 (0.70) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10498436 | 0.88 | CYP3A4 (0.84) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL15927829 | 0.88 | CYP3A4 (0.84) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL1152900 | 0.87 | CYP3A4 (0.68) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL20322163 | 0.86 | CYP3A4 (0.62) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL11272056 | 0.85 | CYP3A4 (0.72) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL11381040 | 0.85 | CYP3A4 (0.72) | CYP3A4LMNACYP51A1FYNNR1I2 |
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 | CYP3A4 444/4885LMNA 4868/4885CYP51A1 24/4885 |
| US-11028078-B2 | Itraconazole analogs and use thereof | SHH, GLI1, KDR | CYP3A4 444/4885LMNA 4868/4885CYP51A1 24/4885 |
“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.