Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | FAAH | O00519 | 4/20 | 0.52 |
| ▸ | STAT3 | P40763 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | SMO | Q99835 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28760766 | 1.00 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2LMNAMAPTALOX15 | |
| SCHEMBL29612914 | 0.89 | NPC1 (0.54) | ALDH1A1SMN1; SMN2LMNAMAPTALOX15 | |
| SCHEMBL28760792 | 0.89 | NPC1 (0.54) | ALDH1A1SMN1; SMN2LMNAMAPTALOX15 | |
| SCHEMBL29612916 | 0.83 | SMO (0.54) | ALDH1A1SMN1; SMN2LMNAHTTKMT2A | |
| SCHEMBL28760824 | 0.83 | SMO (0.54) | ALDH1A1SMN1; SMN2LMNAHTTKMT2A | |
| SCHEMBL4768370 | 0.78 | GPR119 (0.55) | ALDH1A1SMN1; SMN2LMNAMAPTTSHR | |
| SCHEMBL10641440 | 0.78 | NPC1 (0.52) | ALDH1A1SMN1; SMN2LMNAMAPTALOX15 | |
| SCHEMBL28760752 | 0.76 | MAPT (0.60) | ALDH1A1SMN1; SMN2LMNAMAPTALOX15 | |
| SCHEMBL29613050 | 0.76 | MAPT (0.60) | ALDH1A1SMN1; SMN2LMNAMAPTALOX15 | |
| SCHEMBL7556783 | 0.75 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2LMNAMAPTTSHR |
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 |