Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | GRK6 | P43250 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22748747 | 0.84 | RARB (0.43) | CNR1CYP1A2CYP2C19GAAMEN1 | |
| SCHEMBL30612377 | 0.76 | KDM4E (0.53) | CNR1TLR8CYP1A2CYP2C19GAA | |
| SCHEMBL11896624 | 0.74 | KDM4E (0.54) | CNR1TLR8CYP1A2CYP2C19KMT2A | |
| SCHEMBL2451961 | 0.74 | CNR1 (0.46) | CNR1TLR8CYP1A2CYP2C19GAA | |
| SCHEMBL9807560 | 0.72 | CNR1 (0.47) | CNR1TLR8NR4A2KDM4EMAPK1 | |
| SCHEMBL22748574 | 0.71 | TLR8 (0.51) | CNR1TLR8CYP1A2CYP2C19GAA | |
| Hexadecane SCHEMBL28894271 | 0.71 | TSHR (0.68) | CYP1A2CYP2C19GAAMEN1KMT2A | |
| SCHEMBL8519956 | 0.70 | NOTUM (0.54) | CNR1CYP1A2CYP2C19GAAMEN1 | |
| SCHEMBL28433183 | 0.70 | TLR8 (0.50) | CNR1TLR8CYP1A2CYP2C19GAA | |
| SCHEMBL845981 | 0.69 | PLG (0.53) | TLR8KDM4EALDH1A1PLA2G4ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020245291-A1 | PYRROLE DERIVATIVES AS ACC INHIBITORS | ALMIRALL, S.A. (ES) | 2020-12-10 | — | — | WO | disclosed |