Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28791936 | 0.83 | ALOX5 (0.44) | ALOX5ALDH1A1CYP3A4CHRNB2CHRNB4 | |
| SCHEMBL11520595 | 0.83 | ALOX5 (0.44) | ALOX5ALDH1A1CYP3A4CHRNB2CHRNB4 | |
| SCHEMBL19735043 | 0.83 | ALOX5 (0.50) | ALOX5ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL19716965 | 0.82 | ALOX5 (0.46) | ALOX5ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL14033888 | 0.79 | ALOX5 (0.49) | ALOX5ALDH1A1CYP3A4CHRNB2CHRNB4 | |
| SCHEMBL723114 | 0.77 | ALOX5 (0.51) | ALOX5ALDH1A1CYP3A4CHRNB2CHRNB4 | |
| SCHEMBL14528798 | 0.77 | ALOX5 (0.51) | ALOX5ALDH1A1CYP3A4CHRNB2CHRNB4 | |
| SCHEMBL11521371 | 0.77 | ALOX5 (0.44) | ALOX5ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL6708033 | 0.75 | ALDH1A1 (0.66) | ALOX5ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL17276067 | 0.75 | ALDH1A1 (0.66) | ALOX5ALDH1A1CYP3A4TSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |