Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.53 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.52 |
| ▸ | FEN1 | P39748 | 1/20 | 0.52 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TOP2A | P11388 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28343059 | 0.87 | IDO1 (0.51) | PTGER4PTGDR2SMN1; SMN2ALDH1A1 | |
| SCHEMBL15946997 | 0.82 | PTGER4 (0.66) | PTGER4AKR1C3ERCC5FEN1MEN1 | |
| SCHEMBL28328763 | 0.81 | CYP19A1 (0.48) | PTGER4PTGDR2ADORA3 | |
| SCHEMBL28329962 | 0.81 | PTGDR2 (0.41) | PTGER4PTGDR2HTTSMN1; SMN2 | |
| SCHEMBL28328682 | 0.80 | TGM2 (0.44) | PTGDR2MEN1KMT2AADORA3ALDH1A1 | |
| SCHEMBL11254519 | 0.78 | PTGDR2 (0.60) | PTGDR2MEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL28329954 | 0.77 | CNR2 (0.48) | PTGDR2HTTSMN1; SMN2NPSR1L3MBTL1 | |
| SCHEMBL19927471 | 0.74 | PTGS2 (0.56) | PTGDR2NPSR1L3MBTL1ALDH1A1 | |
| SCHEMBL28329955 | 0.74 | PTGER4 (0.55) | PTGER4AKR1C3PTGDR2MEN1KMT2A | |
| SCHEMBL6501472 | 0.74 | ALDH1A1 (0.59) | AKR1C3ERCC5FEN1PTGDR2HTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110498773-B | Method for synthesizing 1, 4-substituted 1,2, 3-triazole from acetylenic acid | 乐山师范学院 | 2021-07-02 | — | — | CN | disclosed |
| CN-110526875-A | A kind of acetylenic acid multicomponent synthesis 1,4- replaces the method for 1,2,3- triazole | UNIV LESHAN NORMAL | 2019-12-03 | — | — | CN | disclosed |
| CN-110498772-A | A kind of Terminal Acetylenes multicomponent synthesis 1,4- replaces the method for 1,2,3- triazole | UNIV LESHAN NORMAL | 2019-11-26 | — | — | CN | disclosed |
| CN-110498773-A | A kind of acetylenic acid synthesis 1,4- replaces the method for 1,2,3- triazole | UNIV LESHAN NORMAL | 2019-11-26 | — | — | CN | disclosed |
| CN-106866557-B | (Z)-β-alkenyl bromine multicomponent prepares the method and application of 1,4- substitution -1,2,3- triazole | 乐山师范学院 | 2019-11-12 | — | — | CN | disclosed |