Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4878194 | 0.99 | ALDH1A1 (0.47) | ALDH1A1CYP2C19KEAP1NFE2L2HRH4 | |
| SCHEMBL2166315 | 0.97 | ALDH1A1 (0.49) | ALDH1A1CYP2C19KEAP1NFE2L2HRH4 | |
| SCHEMBL4875369 | 0.83 | HRH4 (0.48) | ALDH1A1CYP2C19KEAP1NFE2L2HRH4 | |
| SCHEMBL4874187 | 0.82 | ALDH1A1 (0.47) | ALDH1A1CYP2C19KEAP1NFE2L2HRH4 | |
| SCHEMBL4129860 | 0.81 | CYP2C19 (0.61) | ALDH1A1CYP2C19KEAP1NFE2L2BCHE | |
| SCHEMBL4877590 | 0.81 | CYP2C19 (0.51) | ALDH1A1CYP2C19KEAP1NFE2L2HRH2 | |
| SCHEMBL4874124 | 0.80 | ALDH1A1 (0.51) | ALDH1A1CYP2C19KEAP1NFE2L2IKBKB | |
| SCHEMBL3128908 | 0.79 | CYP2C19 (0.47) | ALDH1A1CYP2C19KEAP1NFE2L2HRH2 | |
| SCHEMBL3131985 | 0.79 | CYP2C19 (0.47) | ALDH1A1CYP2C19KEAP1NFE2L2HRH2 | |
| SCHEMBL3135449 | 0.78 | CYP2C19 (0.47) | ALDH1A1CYP2C19KEAP1NFE2L2HRH2 |
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.