Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4875369 | 0.81 | HRH4 (0.48) | CYP2C19ALDH1A1SMN1; SMN2KEAP1NFE2L2 | |
| SCHEMBL4874612 | 0.80 | HRH4 (0.39) | HRH4 | |
| SCHEMBL2166315 | 0.79 | ALDH1A1 (0.49) | CYP2C19ALDH1A1KDM4EKEAP1NFE2L2 | |
| SCHEMBL4878194 | 0.77 | ALDH1A1 (0.47) | CYP2C19ALDH1A1KDM4EMAPK1KEAP1 | |
| SCHEMBL4876866 | 0.76 | ALDH1A1 (0.46) | CYP2C19ALDH1A1KDM4EMAPK1KEAP1 | |
| SCHEMBL4877590 | 0.76 | CYP2C19 (0.51) | CYP2C19ALDH1A1KDM4EKEAP1NFE2L2 | |
| SCHEMBL3135449 | 0.73 | CYP2C19 (0.47) | CYP2C19NLRP3ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL3131985 | 0.73 | CYP2C19 (0.47) | CYP2C19ALDH1A1KEAP1NFE2L2P2RY12 | |
| SCHEMBL3128908 | 0.73 | CYP2C19 (0.47) | CYP2C19NLRP3ALDH1A1SMN1; SMN2KEAP1 | |
| SCHEMBL4876927 | 0.72 | CYP2C19 (0.41) | CYP2C19NLRP3ALDH1A1SMN1; SMN2KEAP1 |
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 | CYP2C19 685/4885NLRP3 110/4885ALDH1A1 411/4885 |
“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.