Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | PLEC | Q15149 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13459745 | 0.84 | NPC1 (0.50) | NPSR1POLBTDP1CYP1A2GAA | |
| SCHEMBL1594961 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NPSR1POLBPLECCTDSP1 | |
| SCHEMBL1594957 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NPSR1POLBPLECCTDSP1 | |
| SCHEMBL20288371 | 0.78 | NPSR1 (0.58) | ALDH1A1NPSR1POLBPLECCTDSP1 | |
| SCHEMBL2160781 | 0.78 | ALDH1A1 (0.54) | ALDH1A1NPSR1POLBPLECCTDSP1 | |
| SCHEMBL2651780 | 0.78 | ALDH1A1 (0.54) | ALDH1A1NPSR1POLBPLECCTDSP1 | |
| SCHEMBL5110843 | 0.78 | ALDH1A1 (0.54) | ALDH1A1NPSR1POLBPLECCTDSP1 | |
| SCHEMBL2160777 | 0.78 | ALDH1A1 (0.54) | ALDH1A1NPSR1POLBPLECCTDSP1 | |
| SCHEMBL8240652 | 0.78 | NPSR1 (0.57) | ALDH1A1NPSR1POLBPLECCTDSP1 | |
| SCHEMBL23934766 | 0.76 | NPC1 (0.72) | ALDH1A1NPSR1POLBTDP1CYP1A2 |
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-2021012264-A1 | TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 东莞市东阳光农药研发有限公司 | 2021-01-28 | — | — | WO | disclosed |