Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305695 | 0.87 | BRD4 (0.38) | ALDH1A1BRD4TSHRCYP3A4CYP1A2 | |
| SCHEMBL7305696 | 0.87 | BRD4 (0.38) | ALDH1A1BRD4TSHRCYP3A4CYP1A2 | |
| SCHEMBL7305703 | 0.87 | BRD4 (0.38) | ALDH1A1BRD4TSHRCYP3A4CYP1A2 | |
| SCHEMBL17761798 | 0.80 | CYP3A4 (0.37) | BRD4TSHRCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL6776145 | 0.80 | CYP3A4 (0.37) | BRD4TSHRCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8649386 | 0.78 | CYP3A4 (0.36) | BRD4TSHRCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9745249 | 0.78 | ALDH1A1 (0.43) | ALDH1A1BRD4TSHRCYP3A4CYP1A2 | |
| SCHEMBL9745052 | 0.78 | ALDH1A1 (0.43) | ALDH1A1BRD4TSHRCYP3A4CYP1A2 | |
| SCHEMBL9745246 | 0.78 | ALDH1A1 (0.43) | ALDH1A1BRD4TSHRCYP3A4CYP1A2 | |
| SCHEMBL9745059 | 0.78 | ALDH1A1 (0.43) | ALDH1A1BRD4TSHRCYP3A4CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160137639-A1 | TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2016-05-19 | — | — | 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-20160137639-A1 | TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF | CYP3A7, CYP2C19, CYP3A5 | ALDH1A1 560/4885BRD4 594/4885TSHR 1365/4885 |
“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.