Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
| ▸ | RXRG | P48443 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28345333 | 0.88 | NPC1 (0.53) | IDO1TDO2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28344778 | 0.87 | NPC1 (0.51) | IDO1TDO2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28344881 | 0.83 | POLB (0.46) | IDO1TDO2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28342171 | 0.79 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2HSD11B1KDM4E | |
| SCHEMBL11254556 | 0.76 | PTGDR2 (0.47) | NPC1RAB9APTGESALOX5KDM4E | |
| SCHEMBL22769607 | 0.75 | NPC1 (0.48) | IDO1TDO2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22780396 | 0.74 | KMT2A (0.48) | NPC1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL28748658 | 0.73 | MPO (0.55) | SMN1; SMN2HSD11B1PTGESALOX5KDM4E | |
| SCHEMBL28343059 | 0.71 | IDO1 (0.51) | IDO1TDO2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL11726552 | 0.71 | RXRA (0.45) | NPC1RAB9APTGESALOX5KDM4E |
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-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-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 |