Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 2/20 | 0.57 |
| ▸ | CASP7 | P55210 | 2/20 | 0.57 |
| ▸ | ACHE | P22303 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | NQO2 | P16083 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL440157 | 0.82 | ALDH1A1 (0.64) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| SCHEMBL30025532 | 0.82 | ALDH1A1 (0.64) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| SCHEMBL27296318 | 0.82 | ALDH1A1 (0.64) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| SCHEMBL25049845 | 0.80 | ERN1 (0.61) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| Aminacrine SCHEMBL11419528 | 0.77 | ALDH1A1 (0.86) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| SCHEMBL3892400 | 0.77 | ERN1 (0.57) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| SCHEMBL7522141 | 0.77 | ERN1 (0.57) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| SCHEMBL6784629 | 0.77 | ERN1 (0.57) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| SCHEMBL28220555 | 0.77 | ALDH1A1 (0.58) | HSD17B10TP53ALDH1A1HPGDCYP1A2 | |
| SCHEMBL27886134 | 0.77 | ERN1 (0.57) | HSD17B10TP53ALDH1A1HPGDCYP1A2 |
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-2024105553-A1 | BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS | NOVARTIS AG (CH) | 2024-05-23 | — | — | WO | disclosed |