Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL3341305 | 0.87 | CYP2C19 (0.47) | CYP2C19KEAP1NFE2L2RORCKDM4E | |
| SCHEMBL4117844 | 0.83 | CYP2C19 (0.47) | CYP2C19KEAP1NFE2L2RORCKDM4E | |
| SCHEMBL3812065 | 0.83 | CYP2C19 (0.47) | CYP2C19KEAP1NFE2L2RORCALDH1A1 | |
| SCHEMBL3820405 | 0.79 | CYP2C19 (0.42) | CYP2C19KEAP1NFE2L2RORCKDM4E | |
| SCHEMBL4129860 | 0.78 | CYP2C19 (0.61) | CYP2C19KEAP1NFE2L2KDM4EALDH1A1 | |
| SCHEMBL4139046 | 0.77 | CYP2C19 (0.41) | CYP2C19KEAP1NFE2L2RORCALDH1A1 | |
| SCHEMBL4877590 | 0.72 | CYP2C19 (0.51) | CYP2C19KEAP1NFE2L2KDM4EPOLB | |
| SCHEMBL2166315 | 0.71 | ALDH1A1 (0.49) | CYP2C19KEAP1NFE2L2KDM4EPOLB | |
| SCHEMBL4878194 | 0.71 | ALDH1A1 (0.47) | CYP2C19KEAP1NFE2L2KDM4EPOLB | |
| SCHEMBL3131985 | 0.70 | CYP2C19 (0.47) | CYP2C19KEAP1NFE2L2ALDH1A1P2RY12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8436005-B2 | Macrocyclic pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2013-05-07 | — | — | US | disclosed |
| US-20090253678-A1 | MACROCYCLIC PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2009-10-08 | — | — | 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-20090253678-A1 | MACROCYCLIC PYRIMIDINE DERIVATIVES | DPYD, TYMS, TYMP | CYP2C19 1402/4885KEAP1 827/4885NFE2L2 930/4885 |
“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.