Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | NOS1 | P29475 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Aminothiazole SCHEMBL6051173 | 0.79 | ALDH1A1 (0.88) | ALDH1A1TSHRNOS1HSD17B10FBP1 | |
| Toluene SCHEMBL28317178 | 0.79 | ALDH1A1 (0.62) | ALDH1A1TSHRNOS1HSD17B10FBP1 | |
| Biphenyl SCHEMBL28794521 | 0.78 | ALDH1A1 (0.68) | ALDH1A1TSHRNOS1HSD17B10NPC1 | |
| Aminothiazole SCHEMBL27899272 | 0.75 | — | — | |
| Fluorobenzene SCHEMBL28276292 | 0.75 | ALDH1A1 (0.62) | ALDH1A1TSHRNOS1HSD17B10FBP1 | |
| Aminothiazole SCHEMBL1136755 | 0.74 | — | — | |
| Aminothiazole SCHEMBL10428703 | 0.74 | — | — | |
| Aminothiazole SCHEMBL7401 | 0.74 | — | — | |
| Aminothiazole SCHEMBL4962431 | 0.74 | ALDH1A1 (1.00) | ALDH1A1TSHRNOS1HSD17B10FBP1 | |
| Anisole SCHEMBL27522741 | 0.74 | — | — |
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-106699749-A | Application of 5-piperonyl thiazole derivative as anticancer drug | 湖南大学 | 2017-05-24 | — | — | CN | disclosed |