Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11523638 | 1.00 | CES2 (0.52) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL13739852 | 0.83 | CES2 (0.52) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL7512784 | 0.82 | DAO (0.57) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL7512791 | 0.82 | DAO (0.57) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL7515206 | 0.82 | DAO (0.57) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL9769960 | 0.81 | CES2 (0.52) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL2474971 | 0.77 | HPGDS (0.58) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL2509540 | 0.77 | HPGDS (0.58) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL826317 | 0.74 | — | — | |
| SCHEMBL9781850 | 0.74 | HPGD (0.46) | CES2CES1DAONPC1RAB9A |
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 |