Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4329664 | 0.86 | CYP1A2 (0.54) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4399133 | 0.84 | CYP2C19 (0.67) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4321601 | 0.82 | NPC1 (0.64) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4322768 | 0.82 | MAP4K4 (0.46) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4329713 | 0.82 | RAB9A (0.48) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4333333 | 0.80 | CYP2C19 (0.53) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4331562 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4456071 | 0.79 | CYP3A4 (0.50) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4328263 | 0.78 | PTGS2 (0.55) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4322370 | 0.77 | NPC1 (0.42) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8383658-B2 | Isoxazole based neuronal nicotinic receptor ligands and methods of use | ABBOTT LABORATORIES (US) | 2013-02-26 | — | — | US | claimed |
| US-20090306096-A1 | Novel Isoxazoles and Methods of Use Thereof | ABBOTT LABORATORIES (US) | 2009-12-10 | — | — | US | claimed |
| US-8383658-B2 | Isoxazole based neuronal nicotinic receptor ligands and methods of use | ABBOTT LABORATORIES (US) | 2013-02-26 | — | — | US | disclosed |
| US-20090306096-A1 | Novel Isoxazoles and Methods of Use Thereof | ABBOTT LABORATORIES (US) | 2009-12-10 | — | — | 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-20090306096-A1 | Novel Isoxazoles and Methods of Use Thereof | XDH, PRDX5, CYP4X1 | CYP3A4 44/4885CYP2C19 105/4885CYP1A2 41/4885 |
“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.