Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.57 |
| ▸ | CES1 | P23141 | 3/20 | 0.57 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29291314 | 0.85 | LMNA (0.59) | CES2CES1PTPN1LMNACYP3A4 | |
| SCHEMBL29291319 | 0.82 | NPC1 (0.47) | CES2CES1NPC1RAB9ALMNA | |
| SCHEMBL29291311 | 0.81 | CES2 (0.47) | CES2CES1NPC1RAB9ALMNA | |
| SCHEMBL29291317 | 0.81 | LMNA (0.46) | CES2CES1CYP1B1LMNACYP3A4 | |
| SCHEMBL3107743 | 0.78 | GSK3B (0.64) | CES2CES1GSK3BPDPK1ACP3 | |
| SCHEMBL11750908 | 0.78 | CES2 (0.56) | CES2CES1GSK3BPDPK1ACP3 | |
| SCHEMBL29291323 | 0.77 | CES2 (0.49) | CES2CES1GSK3BPDPK1ACP3 | |
| SCHEMBL29291321 | 0.77 | MAPT (0.56) | CES2CES1ACP3NPC1RAB9A | |
| SCHEMBL29291313 | 0.76 | CES1 (0.53) | CES2CES1SRD5A2CYP1B1NPC1 | |
| SCHEMBL16781996 | 0.76 | PTPN1 (0.72) | CES2CES1GSK3BPDPK1ACP3 |
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-109734571-B | Method for synthesizing alpha-F-beta-OH-carbonyl compound | 浙江工业大学 | 2021-11-30 | — | — | CN | disclosed |