Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.61 |
| ▸ | MMP12 | P39900 | 1/20 | 0.61 |
| ▸ | MMP13 | P45452 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4574068 | 0.83 | MMP12 (0.82) | CES1MMP12MMP13CYP2C19CYP1A2 | |
| SCHEMBL8990052 | 0.82 | CES1 (0.62) | CES1MMP12MMP13CYP2C19CYP1A2 | |
| SCHEMBL1602026 | 0.82 | CYP2C19 (0.55) | CYP2C19CYP1A2CYP2D6SMN1; SMN2HTT | |
| SCHEMBL20707338 | 0.78 | ALDH1A1 (0.63) | CES1MMP12MMP13CYP2C19CYP1A2 | |
| SCHEMBL11549773 | 0.77 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP2D6SMN1; SMN2CYP3A4 | |
| SCHEMBL9346300 | 0.75 | FFAR1 (0.62) | CES1SMN1; SMN2KEAP1ALDH1A1HDAC3 | |
| SCHEMBL11686207 | 0.75 | NOS1 (0.53) | CES1MMP12MMP13SMN1; SMN2KEAP1 | |
| SCHEMBL577806 | 0.75 | CYP1A2 (0.76) | CES1MMP12MMP13CYP2C19CYP1A2 | |
| SCHEMBL7455672 | 0.74 | CES1 (0.54) | CES1MMP12MMP13SMN1; SMN2CA2 | |
| SCHEMBL5025501 | 0.74 | MMP12 (0.69) | CES1MMP12MMP13CYP2C19SMN1; SMN2 |
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 | CES1 877/4885MMP12 3823/4885MMP13 3212/4885 |
“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.