Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.42 |
| ▸ | CYP8B1 | Q9UNU6 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1722997 | 0.86 | CYP3A4 (0.42) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL3398153 | 0.86 | CYP3A4 (0.54) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL3338267 | 0.86 | CYP3A4 (0.48) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL1723630 | 0.85 | ABCG2 (0.58) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL1724096 | 0.84 | CYP3A4 (0.46) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL1723455 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL1723544 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL1723143 | 0.75 | CYP3A4 (0.37) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL1722926 | 0.74 | CYP3A4 (0.46) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 | |
| SCHEMBL9251680 | 0.73 | CYP3A4 (0.55) | CYP3A4CYP19A1CYP17A1ABCG2CYP11B1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2343980-A1 | TRIAZOLE ANTIFUNGAL AGENTS | Wu, Nian (US) | 2011-07-20 | — | — | EP | disclosed |
| US-20100143455-A1 | Triazole antifungal agents | WU NIAN | 2010-06-10 | — | — | US | disclosed |
| US-20100143455-A1 | Triazole antifungal agents | WU NIAN | 2010-06-10 | — | — | US | disclosed |
| US-20100143455-A1 | Triazole antifungal agents | WU NIAN | 2010-06-10 | — | — | US | disclosed |
| WO-2010027496-A1 | TRIAZOLE ANTIFUNGAL AGENTS | WU NIAN (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2010027496-A1 | TRIAZOLE ANTIFUNGAL AGENTS | WU NIAN (US) | 2010-03-11 | — | — | 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-20100143455-A1 | Triazole antifungal agents | CYP3A7, ERG28, UGT1A7 | CYP3A4 33/4885CYP19A1 1855/4885CYP17A1 2137/4885 |
“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.