Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.32 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL14015675 | 0.79 | IKBKB (0.46) | HTTALDH1A1TP53APAF1LMNA | |
| SCHEMBL14015696 | 0.76 | IKBKB (0.47) | HTTALDH1A1TP53APAF1LMNA | |
| SCHEMBL11831835 | 0.74 | HTT (0.62) | HTTALDH1A1TP53APAF1POLB | |
| SCHEMBL13715899 | 0.74 | MAPT (0.35) | HTTALDH1A1TP53APAF1MAPT | |
| SCHEMBL23398514 | 0.73 | ALDH1A1 (0.36) | HTTALDH1A1TP53APAF1PDE1A | |
| SCHEMBL20050019 | 0.73 | PDE1A (0.33) | HTTALDH1A1PDE1APDE1BPDE1C | |
| SCHEMBL22538761 | 0.73 | PDE1A (0.33) | HTTALDH1A1PDE1APDE1BPDE1C | |
| SCHEMBL14226092 | 0.73 | PDE1A (0.33) | HTTALDH1A1PDE1APDE1BPDE1C | |
| SCHEMBL4361441 | 0.73 | GLS (0.41) | HTTALDH1A1POLBPDE1APDE1B | |
| SCHEMBL17045561 | 0.73 | SMN1; SMN2 (0.39) | HTTALDH1A1PDE1APDE1BPDE1C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115490708-B | Sulfonamide macrocyclic derivative, preparation method and application thereof | 苏州亚盛药业有限公司 | 2025-01-24 | — | — | CN | disclosed |
| EP-3931191-B1 | PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF PASK | GALAPAGOS NV (BE) | 2023-10-04 | — | — | EP | disclosed |
| CN-115490708-A | Sulfonamide macrocyclic derivatives, and preparation method and application thereof | 苏州亚盛药业有限公司 | 2022-12-20 | — | — | CN | disclosed |
| WO-2009071895-A1 | FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2009-06-11 | — | — | WO | disclosed |