Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30216788 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL24047629 | 0.90 | ALDH1A1 (0.54) | ALDH1A1MAPTNPC1RAB9AHTT | |
| SCHEMBL24049379 | 0.87 | DHODH (0.44) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL24047518 | 0.85 | NAMPT (0.46) | NAMPT | |
| SCHEMBL30107210 | 0.85 | NAMPT (0.46) | NAMPT | |
| SCHEMBL24047454 | 0.83 | DHODH (0.58) | ALDH1A1NPC1RAB9AHTTLMNA | |
| SCHEMBL24048072 | 0.83 | DHODH (0.47) | ALDH1A1NPC1RAB9AHTTLMNA | |
| SCHEMBL24047143 | 0.83 | ALDH1A1 (0.48) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL24047476 | 0.83 | RAB9A (0.48) | ALDH1A1MAPTNPC1RAB9ANAMPT | |
| SCHEMBL28927110 | 0.83 | RAB9A (0.48) | ALDH1A1MAPTNPC1RAB9ANAMPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115666721-A | Novel malononitrile derivatives | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | claimed |
| US-20230242520-A1 | MALONITRILE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-08-03 | — | — | US | disclosed |
| US-20230242520-A1 | MALONITRILE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-08-03 | — | — | US | disclosed |
| CN-115666721-A | Novel malononitrile derivatives | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | disclosed |
| WO-2021233851-A1 | NEW MALONITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2021-11-25 | — | — | 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-20230242520-A1 | MALONITRILE DERIVATIVES | MAL2, ME1, REN | ALDH1A1 29/4885MAPT 822/4885MAPK1 722/4885 |
“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.