Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | QDPR | P09417 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 4/20 | 0.34 |
| ▸ | ESRRB | O95718 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 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 | |
|---|---|---|---|---|
| SCHEMBL16795078 | 0.84 | SLC18A3 (0.40) | SLC18A3KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20919593 | 0.79 | CYP1B1 (0.38) | SLC18A3KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14930370 | 0.77 | BTK (0.35) | SLC18A3QDPRATRPARP1 | |
| SCHEMBL16795094 | 0.76 | LPL (0.42) | SLC18A3 | |
| SCHEMBL14925547 | 0.74 | SOS1 (0.38) | SLC18A3ATRPARP1 | |
| SCHEMBL14811046 | 0.73 | HTR6 (0.43) | SLC18A3KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL31706770 | 0.71 | ALDH1A1 (0.42) | SLC18A3KDM4EALDH1A1MAPTATR | |
| SCHEMBL20842182 | 0.70 | SLC18A3 (0.47) | SLC18A3QDPRPARP1ESRRBESR1 | |
| SCHEMBL24981840 | 0.70 | CTSC (0.52) | ATR | |
| SCHEMBL22306951 | 0.69 | SOS1 (0.31) | — |
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-20230019491-A1 | PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF | EMD Serono Research and Development Institute, Inc. | 2023-01-19 | — | — | US | disclosed |
| WO-2019079373-A1 | PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-04-25 | — | — | WO | 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-20230019491-A1 | PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF | DTYMK, TBKBP1, NFKBIA | SLC18A3 4512/4885KDM4E 617/4885ALDH1A1 3953/4885 |
“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.