Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.60 |
| ▸ | CES1 | P23141 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL622120 | 0.85 | TSHR (0.50) | CES2CES1ALDH1A1ALOX15TDP1 | |
| SCHEMBL6062757 | 0.84 | CES2 (0.62) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL3398637 | 0.84 | CES2 (0.62) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL8378855 | 0.84 | CES2 (0.62) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL5302688 | 0.83 | CES2 (0.63) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL24288684 | 0.80 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL21681966 | 0.80 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL513707 | 0.80 | KMT2A (0.67) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL513706 | 0.80 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15KMT2A | |
| SCHEMBL2015455 | 0.80 | ALDH1A1 (0.59) | CES2CES1ALDH1A1ALOX15KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3658554-A1 | DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE | North & South Brother Pharmacy Investment Company Limited (CN) | 2020-06-03 | — | — | EP | disclosed |
| WO-2019001396-A1 | DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2019-01-03 | — | — | WO | disclosed |