Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5049280 | 0.79 | MAPT (0.55) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL21679933 | 0.79 | CES2 (0.52) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL6343638 | 0.79 | MAPT (0.55) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL17547225 | 0.77 | CES2 (0.50) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL8587179 | 0.74 | CES2 (0.48) | CES2CES1CA1CA2RAB9A | |
| SCHEMBL942286 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL206782 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL6036757 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL7922645 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL12449040 | 0.74 | MAPT (0.32) | CES2CES1GSK3BLMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-113511972-A | (E) Preparation method of (E) -4-aryl-2, 2-difluoro-3-butenoic acid derivative | 昆明理工大学 | 2021-10-19 | — | — | CN | disclosed |
| WO-2007024922-A1 | IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS | IRM LLC (BM) | 2007-03-01 | — | — | WO | disclosed |