Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 3/20 | 0.30 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Urea SCHEMBL28122176 | 0.90 | AXL (0.34) | ALDH1A1GAANTRK1BAZ1AADORA2B | |
| Hydrazine SCHEMBL5897595 | 0.83 | AXL (0.38) | ALDH1A1NTRK1MAPK8AXLMKNK1 | |
| SCHEMBL32388 | 0.83 | — | — | |
| SCHEMBL27747567 | 0.83 | AXL (0.41) | ALDH1A1IRAK4AXLMKNK1MKNK2 | |
| Acetic Acid SCHEMBL474261 | 0.82 | ADORA2A (0.35) | ALDH1A1NTRK1BAZ1AADORA2BIRAK4 | |
| Acetic Acid SCHEMBL28002200 | 0.82 | ADORA2A (0.35) | ALDH1A1NTRK1ADORA2BIRAK4ADORA2A | |
| Formaldehyde SCHEMBL28037402 | 0.81 | AXL (0.37) | ALDH1A1NTRK1AXLMKNK1MKNK2 | |
| Hydrochloric Acid SCHEMBL21803551 | 0.81 | AXL (0.39) | ALDH1A1IRAK4AXLMKNK1MKNK2 | |
| SCHEMBL30711136 | 0.81 | AXL (0.39) | ALDH1A1IRAK4AXLMKNK1MKNK2 | |
| SCHEMBL29588937 | 0.81 | PIP4K2C (0.40) | ALDH1A1NTRK1BAZ1AADORA2BIRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
| EP-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | 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-20100160327-A1 | Modified Malonate Derivatives | ME2, ME3, ME1 | ALDH1A1 784/4885GAA 713/4885NTRK1 1229/4885 |
“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.