Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 5/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30612313 | 0.86 | ROCK2 (0.59) | SLC6A3SLC6A4ROCK2CSF1RKDR | |
| Lithium Ion SCHEMBL29628453 | 0.81 | ALDH2 (0.44) | ALDH2BTKNOTUMJAK2JAK1 | |
| SCHEMBL29628586 | 0.81 | SLC6A3 (0.45) | SLC6A3SLC6A4ROCK2CSF1RKDR | |
| SCHEMBL29746274 | 0.80 | SLC6A3 (0.50) | SLC6A3SLC6A4ROCK2CSF1RKDR | |
| SCHEMBL19923181 | 0.78 | SLC6A3 (0.59) | SLC6A3SLC6A4SLC6A2PTPRCNR4A2 | |
| SCHEMBL29109366 | 0.77 | SLC6A3 (0.64) | SLC6A3SLC6A4SLC6A2PDK2 | |
| SCHEMBL18190642 | 0.77 | GRIA1 (0.49) | SLC6A3SLC6A4ROCK2CSF1RKDR | |
| SCHEMBL21380919 | 0.75 | NOTUM (0.50) | ALDH2BTKNOTUMJAK2JAK1 | |
| SCHEMBL29564228 | 0.75 | NOTUM (0.50) | ALDH2BTKNOTUMJAK2JAK1 | |
| SCHEMBL9950445 | 0.75 | CDK8 (0.59) | ALDH2NOTUMPDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3997096-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2024-08-28 | — | — | EP | disclosed |
| US-20220242876-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2022-08-04 | — | — | US | disclosed |
| EP-3997096-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-05-18 | — | — | EP | 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-20220242876-A1 | HETEROCYCLIC COMPOUNDS | CYP1B1, CYP1A1, CYP1A2 | SLC6A3 4544/4885SLC6A4 4161/4885ROCK2 1917/4885 |
“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.