Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2166315 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP2C19KEAP1NFE2L2IKBKB | |
| SCHEMBL4874187 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP2C19KEAP1NFE2L2IKBKB | |
| SCHEMBL4878194 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP2C19KEAP1NFE2L2IKBKB | |
| SCHEMBL4876866 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP2C19KEAP1NFE2L2IKBKB | |
| SCHEMBL15759147 | 0.72 | DYRK1A (0.54) | ALDH1A1DYRK1AMAPTDRD4SMN1; SMN2 | |
| SCHEMBL20270047 | 0.71 | KEAP1 (0.59) | CYP2C19KEAP1NFE2L2L3MBTL1MEN1 | |
| SCHEMBL29870447 | 0.70 | CYP2C19 (0.42) | ALDH1A1CYP2C19KEAP1NFE2L2MEN1 | |
| SCHEMBL10494171 | 0.69 | ALDH1A1 (0.54) | ALDH1A1CYP2C19VDRL3MBTL1MEN1 | |
| SCHEMBL4875369 | 0.69 | HRH4 (0.48) | ALDH1A1CYP2C19KEAP1NFE2L2L3MBTL1 | |
| SCHEMBL9957380 | 0.68 | ALDH1A1 (0.56) | ALDH1A1CYP2C19KEAP1NFE2L2VDR |
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-8735411-B2 | Macrocyclic benzofused pyrimidine derivatives | ABBVIE INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-20080188452-A1 | Macrocyclic Benzofused Pyrimidine Derivatives | ABBVIE INC. | 2008-08-07 | — | — | 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-20080188452-A1 | Macrocyclic Benzofused Pyrimidine Derivatives | DPYD, TYMS, UMPS | ALDH1A1 411/4885CYP2C19 685/4885KEAP1 403/4885 |
“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.