Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 15/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.61 |
| ▸ | TSHR | P16473 | 8/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL31230958 | 0.93 | CYP2D6 (0.62) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL21262272 | 0.93 | CYP2D6 (0.60) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL8044838 | 0.92 | CYP2D6 (0.77) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL8060453 | 0.91 | CYP2D6 (0.72) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL14027002 | 0.89 | CYP2D6 (0.65) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL31230964 | 0.88 | CYP2D6 (0.58) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL19173661 | 0.88 | RORC (0.53) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL17608988 | 0.87 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL1426231 | 0.87 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL2381460 | 0.87 | CYP2D6 (0.59) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 |
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 | CYP2D6 558/4885ALDH1A1 411/4885CYP3A4 653/4885 |
“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.