Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CHAT | P28329 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL29661843 | 0.87 | CHAT (0.60) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL2776015 | 0.87 | CHAT (0.60) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL6364668 | 0.85 | CHAT (0.58) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL5014214 | 0.83 | CHAT (0.52) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL5881377 | 0.81 | CA1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL12424796 | 0.80 | CHAT (0.50) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL3154488 | 0.79 | CHAT (0.49) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL22288269 | 0.79 | HPRT1 (0.64) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL7103761 | 0.79 | CHAT (0.53) | ALDH1A1HSD17B10CYP2A6TSHRCHAT | |
| SCHEMBL11418104 | 0.79 | CHAT (0.49) | ALDH1A1HSD17B10CYP2A6TSHRCHAT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874126-B | Synthetic method of 3-bromoindole compound | 华南理工大学 | 2024-01-12 | — | — | CN | disclosed |
| CN-114591198-B | Preparation method of cyanoalkyne compound | 江苏科技大学 | 2023-07-21 | — | — | CN | disclosed |
| CN-114874126-A | Synthetic method of 3-bromoindole compound | 华南理工大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-114591198-A | Preparation method of novel cyanoacetylene hydrocarbon compound | 江苏科技大学 | 2022-06-07 | — | — | CN | disclosed |