Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL2791382 | 1.00 | KCNN4 (0.50) | KCNN4CES2CES1HDAC3HDAC1 | |
| SCHEMBL25262844 | 0.85 | CES2 (0.44) | KCNN4CES2CES1APPAKR1C3 | |
| SCHEMBL8591922 | 0.83 | KCNN4 (0.49) | KCNN4CES2CES1HDAC3HDAC1 | |
| SCHEMBL29009855 | 0.83 | KCNN4 (0.49) | KCNN4CES2CES1HDAC3HDAC1 | |
| SCHEMBL6400375 | 0.83 | KCNN4 (0.49) | KCNN4CES2CES1HDAC3HDAC1 | |
| SCHEMBL8636721 | 0.81 | KCNN4 (0.47) | KCNN4CES2CES1HDAC3HDAC1 | |
| SCHEMBL1345677 | 0.81 | PKM (0.42) | KCNN4CES2CES1HDAC3HDAC1 | |
| SCHEMBL1625406 | 0.81 | AKR1C3 (0.48) | HDAC3HDAC1HDAC2HDAC6APP | |
| SCHEMBL6229462 | 0.81 | KCNN4 (0.51) | KCNN4CES2CES1HDAC3HDAC1 | |
| SCHEMBL2793735 | 0.81 | AKR1C3 (0.41) | KCNN4APPAKR1C3AKR1C2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4452964-A1 | HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER | Boehringer Ingelheim International GmbH (DE) | 2024-10-30 | — | — | EP | disclosed |
| CN-118339153-A | Heteroaromatic compounds for the treatment of cancer | 勃林格殷格翰国际有限公司 | 2024-07-12 | — | — | CN | disclosed |
| WO-2023117681-A1 | HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-06-29 | — | — | WO | disclosed |