Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAPDH | P04406 | 1/20 | 0.32 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2880798 | 0.87 | ALOX5 (0.39) | ALOX5SLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL9883154 | 0.85 | SLC6A2 (0.42) | ALOX5TAAR1LTA4HSLC6A2SLC6A4 | |
| SCHEMBL7153932 | 0.82 | GLA (0.38) | ALOX5TAAR1LTA4HSLC6A2SLC6A4 | |
| SCHEMBL439568 | 0.80 | TAS1R3 (0.36) | ALOX5SLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL827372 | 0.80 | ALOX5 (0.35) | ALOX5SLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL9130249 | 0.80 | ALOX5 (0.39) | ALOX5SLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL28785571 | 0.79 | LMNA (0.35) | ALOX5CES2CES1KEAP1MAPT | |
| SCHEMBL2887376 | 0.77 | KDM4E (0.44) | ALOX5CES2CES1KEAP1TSHR | |
| SCHEMBL17787300 | 0.77 | ALOX5 (0.37) | ALOX5SLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL27404657 | 0.77 | ALOX5 (0.34) | ALOX5TAAR1LTA4HSLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |