Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | FAAH | O00519 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | UBE2M | P61081 | 2/20 | 0.48 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28760792 | 1.00 | NPC1 (0.54) | NPC1FAAHALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL29612927 | 0.89 | ALDH1A1 (0.60) | NPC1FAAHALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL28760766 | 0.89 | ALDH1A1 (0.60) | NPC1FAAHALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL29612916 | 0.79 | SMO (0.54) | NPC1ALDH1A1SMN1; SMN2GAALMNA | |
| SCHEMBL28760824 | 0.79 | SMO (0.54) | NPC1ALDH1A1SMN1; SMN2GAALMNA | |
| SCHEMBL4768370 | 0.72 | GPR119 (0.55) | NPC1ALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL13841263 | 0.72 | LMNA (0.81) | NPC1ALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL14349563 | 0.71 | LMNA (0.51) | NPC1FAAHALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL7029814 | 0.69 | LTA4H (0.51) | — | |
| SCHEMBL29613050 | 0.69 | MAPT (0.60) | NPC1ALDH1A1SMN1; SMN2ALOX15GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-114524780-A | Mercaptobenzothiazole urea compound, pharmaceutical preparation, preparation method and application | 绍兴市上虞区武汉理工大学高等研究院 | 2022-05-24 | — | — | CN | disclosed |