Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | STK4 | Q13043 | 1/20 | 0.46 |
| ▸ | STK3 | Q13188 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.46 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.43 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.43 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30735978 | 0.73 | ACACB (0.48) | CHEK1 | |
| SCHEMBL3722032 | 0.72 | KMO (0.58) | STK4STK3LRRK2PLOD2PLOD3 | |
| SCHEMBL18984633 | 0.71 | APP (0.53) | STK4STK3LRRK2OPRK1MTOR | |
| SCHEMBL29933005 | 0.70 | KDM1A (0.62) | STK4STK3LRRK2PLOD2PLOD3 | |
| SCHEMBL23089563 | 0.70 | PRKDC (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19MTOR | |
| SCHEMBL303084 | 0.70 | KMO (0.77) | CYP2C9CYP2C19STK4STK3LRRK2 | |
| SCHEMBL21627430 | 0.69 | AOC3 (0.61) | PLOD2PLOD3PLOD1OPRM1KMO | |
| Hydrochloric Acid SCHEMBL14742166 | 0.69 | KMO (0.74) | CYP2C9CYP2C19STK4STK3LRRK2 | |
| SCHEMBL3719688 | 0.69 | HRH3 (0.59) | HDAC1 | |
| SCHEMBL29367 | 0.68 | MAPT (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19HPGDS |
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-2022245061-A1 | BENZAMIDE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER CONTAINING SAME AS ACTIVE INGREDIENT | 에이치케이이노엔 주식회사 | 2022-11-24 | — | — | WO | disclosed |