Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12585680 | 0.87 | CES2 (0.43) | CES2CES1BCHEAPPALB | |
| SCHEMBL20250030 | 0.80 | KAT6A (0.41) | CES2CES1BCHEAPPALB | |
| SCHEMBL25257539 | 0.79 | KDM4E (0.44) | CES2CES1BCHEAKR1C3AKR1C2 | |
| SCHEMBL22655993 | 0.75 | CES2 (0.45) | CES2CES1BCHEAPPAKR1C3 | |
| SCHEMBL31691805 | 0.75 | CES2 (0.45) | CES2CES1BCHEAPPAKR1C3 | |
| SCHEMBL1626654 | 0.74 | CES2 (0.44) | CES2CES1BCHEAPPALB | |
| SCHEMBL30501842 | 0.74 | CES2 (0.44) | CES2CES1BCHEAPPALB | |
| SCHEMBL29009850 | 0.73 | PDK1 (0.42) | CES2CES1BCHEAPPALB | |
| SCHEMBL31718318 | 0.72 | KMT2A (0.44) | KMT2A | |
| SCHEMBL5924770 | 0.72 | CYP1A2 (0.44) | CES2CES1BCHEALBTTR |
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-2023117681-A1 | HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-06-29 | — | — | WO | disclosed |