Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9025513 | 0.86 | ALDH1A1 (0.50) | NQO1ALDH1A1MAPTACHEGAA | |
| SCHEMBL9026853 | 0.86 | GAA (0.45) | NQO1ALDH1A1MAPTGAATSHR | |
| SCHEMBL9025560 | 0.85 | METAP2 (0.40) | NQO1ALDH1A1MAPTACHETSHR | |
| SCHEMBL9024891 | 0.85 | NQO1 (0.37) | NQO1ALDH1A1MAPTACHEGAA | |
| SCHEMBL9025087 | 0.85 | ALDH1A1 (0.39) | NQO1ALDH1A1MAPTGAATSHR | |
| SCHEMBL9026004 | 0.85 | NQO1 (0.37) | NQO1ALDH1A1MAPTACHEGAA | |
| SCHEMBL9026462 | 0.81 | LTA4H (0.40) | NQO1ALDH1A1MAPTGAATSHR | |
| SCHEMBL9032013 | 0.80 | MAPT (0.37) | NQO1ALDH1A1MAPTGAATSHR | |
| SCHEMBL9025426 | 0.79 | ALDH1A1 (0.42) | ALDH1A1GAATSHR | |
| SCHEMBL9025511 | 0.78 | KDM4E (0.38) | ALDH1A1MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995004052-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1995-02-09 | — | — | WO | claimed |
| WO-1995004052-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1995-02-09 | — | — | WO | disclosed |