Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 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 | 0.80 | MPO (0.47) | KDM4EMPOMAOAMAOB | |
| SCHEMBL6417219 | 0.77 | DHFR (0.47) | MAOAMAOBDHFR | |
| SCHEMBL15400226 | 0.73 | CYP2D6 (0.47) | MAOBDHFR | |
| SCHEMBL1317138 | 0.72 | DHFR (0.54) | DHFR | |
| SCHEMBL30107620 | 0.72 | DHFR (0.42) | ALDH1A1MPODHFR | |
| SCHEMBL10698612 | 0.70 | MPO (0.47) | MPO | |
| SCHEMBL6415720 | 0.70 | PIN1 (0.48) | DHFR | |
| SCHEMBL6379173 | 0.69 | KDM4E (0.97) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL6649038 | 0.69 | HTR2C (0.48) | KDM4EALDH1A1HPGDDAO | |
| SCHEMBL27816217 | 0.69 | APP (0.58) | ALDH1A1HPGDMPOMAOAMAOB |
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-20230242494-A1 | MALONITRILE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-08-03 | — | — | 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-20230242494-A1 | MALONITRILE DERIVATIVES | MAL2, ME1, C5 | KDM4E 3238/4885ALDH1A1 20/4885HPGD 1793/4885 |
“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.