Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9563302 | 0.73 | IDO1 (0.36) | CES2CES1KEAP1ALOX5IDO1 | |
| SCHEMBL11080798 | 0.70 | HPGD (0.41) | CES2CES1KEAP1ALOX5CHRNB2 | |
| SCHEMBL9466662 | 0.69 | FFAR1 (0.42) | CES2CES1KEAP1ALOX5IDO1 | |
| SCHEMBL791595 | 0.66 | IDO1 (0.44) | CES2CES1KEAP1ALOX5IDO1 | |
| SCHEMBL984298 | 0.65 | CYP2D6 (0.44) | CES2CES1TSHRALDH1A1LMNA | |
| SCHEMBL5247902 | 0.64 | CES2 (0.42) | CES2CES1KEAP1ALOX5GSK3B | |
| SCHEMBL17685570 | 0.63 | CES2 (0.48) | CES2CES1KEAP1ALOX5GSK3B | |
| SCHEMBL10814543 | 0.63 | — | — | |
| Benzene SCHEMBL11551889 | 0.62 | CES2 (0.47) | CES2CES1KEAP1ALOX5GSK3B | |
| SCHEMBL6493446 | 0.62 | CES2 (0.47) | CES2CES1KEAP1ALOX5GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-113226377-A | Antibody drug conjugates comprising an eltrinastine derivative | 法马马有限公司 | 2021-08-06 | — | — | CN | disclosed |