Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | TSPO | P30536 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9025513 | 0.86 | ALDH1A1 (0.50) | NQO1ALDH1A1ACHEMAPTGAA | |
| SCHEMBL9026853 | 0.86 | GAA (0.45) | NQO1ALDH1A1MAPTGAATSHR | |
| SCHEMBL9025560 | 0.85 | METAP2 (0.40) | NQO1ALDH1A1ACHEMAPTTSHR | |
| SCHEMBL9024891 | 0.85 | NQO1 (0.37) | NQO1ALDH1A1ACHEMAPTGAA | |
| SCHEMBL9025087 | 0.85 | ALDH1A1 (0.39) | NQO1ALDH1A1MAPTGAATSHR | |
| SCHEMBL9216015 | 0.85 | NQO1 (0.37) | NQO1ALDH1A1ACHEMAPTGAA | |
| SCHEMBL9026462 | 0.81 | LTA4H (0.40) | NQO1ALDH1A1MAPTGAATSHR | |
| SCHEMBL9032013 | 0.80 | MAPT (0.37) | NQO1ALDH1A1MAPTGAATSHR | |
| SCHEMBL9024884 | 0.79 | KDM4E (0.32) | NQO1ALDH1A1ACHEPKMTRPA1 | |
| SCHEMBL9025426 | 0.79 | ALDH1A1 (0.42) | ALDH1A1GAATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711290-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004052-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1995-02-09 | — | — | WO | disclosed |