Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.35 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18348329 | 1.00 | DRD4 (0.41) | DRD4TBK1JAK2NOS3NOS1 | |
| SCHEMBL18348286 | 1.00 | DRD4 (0.41) | DRD4TBK1JAK2NOS3NOS1 | |
| SCHEMBL1514235 | 0.88 | DPP4 (0.40) | DRD4NOS3NOS1NOS2AR | |
| SCHEMBL12835675 | 0.88 | DPP4 (0.40) | DRD4NOS3NOS1NOS2AR | |
| Hydrochloric Acid SCHEMBL1514498 | 0.87 | DPP4 (0.39) | DRD4NOS3NOS1NOS2AR | |
| SCHEMBL426972 | 0.84 | AR (0.53) | DRD4TBK1JAK2NOS3NOS1 | |
| SCHEMBL21413772 | 0.82 | FFAR4 (0.41) | TBK1JAK2ARALDH1A1KDM4E | |
| SCHEMBL430031 | 0.80 | NOS3 (0.49) | DRD4JAK2NOS3NOS1NOS2 | |
| SCHEMBL3745959 | 0.80 | AR (0.46) | DRD4NOS3NOS1NOS2AR | |
| SCHEMBL28311934 | 0.80 | MEN1 (0.51) | DRD4NOS3NOS1NOS2AR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9988391-B2 | TBK/IKK inhibitor compounds and uses thereof | MERCK PATENT GMBH (DE) | 2018-06-05 | — | — | US | disclosed |
| WO-2017003995-A1 | TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | WO | disclosed |
| US-20160376283-A1 | TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-12-29 | — | — | 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-20160376283-A1 | TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF | NFKBIA, TBKBP1, TBK1 | DRD4 4868/4885TBK1 3/4885JAK2 1192/4885 |
“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.