Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 10/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9607739 | 0.87 | TP53 (0.45) | IRAK4ADORA3ADORA2AADORA1LMNA | |
| SCHEMBL9607736 | 0.85 | ADORA1 (0.51) | ADORA3ADORA2AADORA1LMNATP53 | |
| SCHEMBL9608997 | 0.80 | TBK1 (0.45) | IRAK4TBK1 | |
| SCHEMBL9609068 | 0.78 | BTK (0.51) | TBK1 | |
| SCHEMBL787083 | 0.73 | ADORA3 (0.47) | IRAK4ADORA3ADORA2AADORA1LMNA | |
| SCHEMBL9607740 | 0.73 | F9 (0.53) | IRAK4ADORA3ADORA2AADORA1 | |
| SCHEMBL6920488 | 0.71 | DRD3 (0.42) | LMNATSHRMAPK1 | |
| SCHEMBL6918294 | 0.68 | F9 (0.52) | MAPK1 | |
| SCHEMBL8989434 | 0.68 | NSD2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL19004853 | 0.67 | IRAK4 (0.43) | IRAK4ADORA1LMNAUSP2CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | 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-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | F9, F8, F12 | IRAK4 1580/4885ADORA3 847/4885ADORA2A 1841/4885 |
“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.