Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | STAT1 | P42224 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13177964 | 0.84 | ALDH1A1 (0.47) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL26524746 | 0.80 | L3MBTL1 (0.56) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL903255 | 0.79 | NPC1 (0.61) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL13528421 | 0.79 | L3MBTL1 (0.82) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL9105844 | 0.79 | NPC1 (0.61) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL29442076 | 0.79 | NPC1 (0.61) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| Iodide SCHEMBL8417295 | 0.78 | NPC1 (0.59) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL29447082 | 0.77 | RAB9A (0.61) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL5228689 | 0.77 | RAB9A (0.61) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL5543053 | 0.76 | GAA (0.56) | L3MBTL1GAARAB9ASMN1; SMN2NPC1 |
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-108530374-B | Preparation method for synthesizing 2-mercaptobenzoxazole (thiadiazole) compound based on 1, 3-propanedithiol as mercapto source | 大连理工大学 | 2019-12-17 | — | — | CN | disclosed |