Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 6/20 | 0.33 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12261482 | 0.79 | TRPM8 (0.38) | ALDH1A1EGFRGAATRPM8MAPT | |
| SCHEMBL13887438 | 0.72 | — | — | |
| SCHEMBL18247259 | 0.71 | APLNR (0.39) | ALDH1A1EGFRGAATRPM8MAPT | |
| SCHEMBL9527392 | 0.69 | TRPM8 (0.36) | ALDH1A1EGFRGAATRPM8MAPT | |
| SCHEMBL12425237 | 0.69 | TRPM8 (0.47) | ALDH1A1EGFRGAATRPM8MAPT | |
| SCHEMBL11399611 | 0.69 | — | — | |
| SCHEMBL24959856 | 0.68 | TRPM8 (0.38) | ALDH1A1EGFRGAATRPM8MAPT | |
| SCHEMBL2310984 | 0.68 | — | — | |
| SCHEMBL9875571 | 0.67 | POLB (0.37) | ALDH1A1NPC1RAB9A | |
| SCHEMBL23966742 | 0.67 | TRPM8 (0.41) | ALDH1A1EGFRGAATRPM8MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1414802-B1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2006-04-26 | — | — | EP | disclosed |