Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.55 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | ASIC1 | P78348 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4319858 | 0.91 | PTGS2 (0.46) | PTGS2CXCR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4318536 | 0.89 | NPC1 (0.59) | PTGS2CXCR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4321601 | 0.89 | NPC1 (0.64) | PTGS2CXCR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4322370 | 0.87 | NPC1 (0.42) | PTGS2CXCR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4319819 | 0.86 | RAB9A (0.51) | PTGS2CXCR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4326997 | 0.86 | CYP3A4 (0.50) | PTGS2CXCR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4315853 | 0.85 | PTGS2 (0.56) | PTGS2CXCR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4329664 | 0.84 | CYP1A2 (0.54) | PTGS2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4315758 | 0.84 | NOTUM (0.43) | PTGS2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4333333 | 0.83 | CYP2C19 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8383658-B2 | Isoxazole based neuronal nicotinic receptor ligands and methods of use | ABBOTT LABORATORIES (US) | 2013-02-26 | — | — | US | claimed |
| 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 | PTGS2 721/4885CXCR1 1286/4885CYP3A4 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.