Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 12/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4315843 | 0.82 | CYP3A4 (0.54) | GRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4327811 | 0.81 | CYP3A4 (0.52) | GRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4319494 | 0.81 | CYP3A4 (0.56) | GRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4323873 | 0.77 | GRM5 (0.43) | GRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4315720 | 0.76 | MAPT (0.50) | GRM5CYP1A2NPC1RAB9APKM | |
| SCHEMBL4324727 | 0.74 | GRM5 (0.41) | GRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4316639 | 0.72 | GRM5 (0.37) | GRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4322362 | 0.71 | RAB9A (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL4319862 | 0.70 | CYP2C9 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL4318598 | 0.69 | CHRNB2 (0.43) | GRM5CYP1A2CYP3A4CYP2C9CYP2C19 |
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 | GRM5 1012/4885CYP1A2 41/4885CYP3A4 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.