Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25260705 | 0.78 | CES2 (0.43) | CES2CES1ERN1ALDH1A1BCHE | |
| SCHEMBL12585680 | 0.74 | CES2 (0.43) | CES2CES1BCHE | |
| SCHEMBL10669681 | 0.74 | CES2 (0.40) | CES2CES1ERN1ACHEBCHE | |
| SCHEMBL24832884 | 0.74 | CES2 (0.35) | CES2CES1ALDH1A1BCHE | |
| SCHEMBL3861716 | 0.72 | MAPT (0.50) | CES2CES1BCHE | |
| SCHEMBL3865046 | 0.72 | ALDH1A1 (0.33) | CES2CES1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29273262 | 0.72 | HDAC4 (0.43) | CES2CES1ALDH1A1BCHE | |
| SCHEMBL25260011 | 0.71 | CES2 (0.40) | CES2CES1ALDH1A1BCHE | |
| SCHEMBL79047 | 0.71 | ACHE (0.39) | CES2CES1ACHEBCHE | |
| SCHEMBL25460824 | 0.69 | GAA (0.44) | CES2CES1ALDH1A1BCHE |
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 |