Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 8/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4324676 | 0.88 | CYP2C19 (0.54) | CYP2C19CYP2C9CYP3A4CYP2D6TDP1 | |
| SCHEMBL4322525 | 0.87 | RAB9A (0.70) | CYP2C19CYP2C9CYP3A4CYP2D6PTGS2 | |
| SCHEMBL4318440 | 0.87 | CYP3A4 (0.62) | CYP2C19CYP2C9CYP3A4CYP2D6PTGS2 | |
| SCHEMBL4325908 | 0.87 | CYP2C9 (0.65) | CYP2C19CYP2C9CYP3A4CYP2D6TDP1 | |
| SCHEMBL4316802 | 0.86 | MAPT (0.59) | CYP2C19CYP2C9CYP3A4CYP2D6TDP1 | |
| SCHEMBL4319873 | 0.85 | CHRNB2 (0.63) | CYP2C19CYP2C9CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL4316607 | 0.85 | NPC1 (0.69) | CYP2C19CYP2C9CYP3A4CYP2D6PTGS2 | |
| SCHEMBL4322419 | 0.85 | NPC1 (0.69) | CYP2C19CYP2C9CYP3A4CYP2D6PTGS2 | |
| SCHEMBL4315894 | 0.84 | CYP2C19 (0.51) | CYP2C19CYP2C9CYP3A4CYP2D6TDP1 | |
| SCHEMBL4333333 | 0.84 | CYP2C19 (0.53) | CYP2C19CYP2C9CYP3A4CYP2D6TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009149135-A1 | BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS | ABBOTT LABORATORIES (US) | 2009-12-10 | — | — | WO | 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 |
| WO-2009149135-A1 | BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS | ABBOTT LABORATORIES (US) | 2009-12-10 | — | — | WO | 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 | CYP2C19 105/4885CYP2C9 136/4885CYP3A4 44/4885 |
“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.