Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1626611 | 0.84 | NOTUM (0.40) | KAT6AALDH1A1PDK1PDK2PDK3 | |
| SCHEMBL1626654 | 0.83 | CES2 (0.44) | HPGDAPPCA2 | |
| SCHEMBL30501842 | 0.83 | CES2 (0.44) | HPGDAPPCA2 | |
| SCHEMBL1624964 | 0.81 | ALDH1A1 (0.41) | GABRA1GABRB2ALDH1A1KMT2AAPP | |
| SCHEMBL25845024 | 0.81 | PLCG1 (0.46) | GABRA1GABRB2KIF11KAT6AALDH1A1 | |
| SCHEMBL3633862 | 0.80 | GABRA1 (0.42) | GABRA1GABRB2HPGDKDM4EALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28842318 | 0.79 | TRPA1 (0.43) | GABRA1GABRB2HPGDKDM4EALDH1A1 | |
| Phosphine SCHEMBL29240846 | 0.79 | TRPA1 (0.43) | GABRA1GABRB2HPGDKDM4EALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28714249 | 0.79 | GABRA1 (0.41) | GABRA1GABRB2HPGDKDM4EALDH1A1 | |
| SCHEMBL9626868 | 0.76 | GABRA1 (0.56) | GABRA1GABRB2KIF11KDM4EALDH1A1 |
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 |