Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7755586 | 0.75 | MPO (0.47) | MPO | |
| SCHEMBL19274151 | 0.73 | P2RX3 (0.48) | — | |
| SCHEMBL27457079 | 0.73 | DHFR (0.46) | DHFR | |
| SCHEMBL14376854 | 0.73 | CYP2D6 (0.53) | DHFR | |
| SCHEMBL30536351 | 0.73 | DHFR (0.46) | DHFR | |
| SCHEMBL25926673 | 0.72 | KDM4E (0.51) | DHFRALDH1A1MPO | |
| SCHEMBL28927139 | 0.72 | GRM4 (0.41) | TSHR | |
| SCHEMBL13195719 | 0.70 | IDO1 (0.46) | DHFRTLR7 | |
| SCHEMBL13195721 | 0.70 | IDO1 (0.45) | DHFR | |
| SCHEMBL27053669 | 0.70 | NUDT1 (0.47) | TSHR |
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-20230242494-A1 | MALONITRILE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-08-03 | — | — | US | disclosed |
| EP-4153577-A1 | NEW MALONITRILE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2023-03-29 | — | — | EP | disclosed |
| CN-115551837-A | Novel malononitrile derivatives | 豪夫迈·罗氏有限公司 | 2022-12-30 | — | — | CN | 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-20230242494-A1 | MALONITRILE DERIVATIVES | MAL2, ME1, C5 | DHFR 741/4885ALDH1A1 20/4885CYP1A2 8/4885 |
“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.