Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3142909 | 0.71 | HSP90AA1 (0.49) | HSP90AA1ADORA2AADORA1HRH2HRH4 | |
| SCHEMBL4878240 | 0.71 | HRH4 (0.52) | ALDH1A1ADORA2AADORA1HRH2HRH1 | |
| SCHEMBL4876209 | 0.68 | THRB (0.45) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL4878269 | 0.68 | HRH4 (0.55) | HRH2HRH4HRH3 | |
| SCHEMBL4869094 | 0.65 | HRH3 (0.41) | ADORA2AADORA1HRH2HRH1HRH4 | |
| SCHEMBL4574773 | 0.60 | ADORA2A (0.39) | ALDH1A1ADORA2AADORA1HRH2HRH1 | |
| SCHEMBL2960591 | 0.60 | ADORA2A (0.60) | ALDH1A1CYP2C19ADORA2AADORA1HRH3 | |
| SCHEMBL6441044 | 0.60 | ADORA2A (0.61) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL1015084 | 0.58 | HSP90AA1 (0.61) | HSP90AA1ALDH1A1ADORA2AADORA1 | |
| SCHEMBL14654790 | 0.57 | HSP90AA1 (0.68) | HSP90AA1ALDH1A1CYP2C19 |
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-8546410-B2 | Heteroaryl-fused macrocyclic pyrimidine derivatives | ABBVIE INC. (US) | 2013-10-01 | — | — | US | disclosed |
| US-20100004256-A1 | HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-01-07 | — | — | 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-20100004256-A1 | HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES | CDK2, DPYD, CCNB1 | HSP90AA1 2895/4885ALDH1A1 247/4885CYP2C19 318/4885 |
“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.