Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28343059 | 0.81 | IDO1 (0.51) | ALDH1A1TSHRHPGDIDO1POLB | |
| SCHEMBL26817248 | 0.72 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDIDO1POLB | |
| SCHEMBL28328763 | 0.71 | CYP19A1 (0.48) | ADORA2AADORA1ADORA2BADORA3HPGD | |
| SCHEMBL28328678 | 0.71 | PTGER4 (0.54) | ALDH1A1ADORA3NPC1RAB9A | |
| SCHEMBL28343588 | 0.70 | KMT2A (0.50) | ALDH1A1TSHRHPGDIDO1POLB | |
| SCHEMBL28329962 | 0.70 | PTGDR2 (0.41) | HPGDIDO1POLBKDM4E | |
| SCHEMBL28328682 | 0.70 | TGM2 (0.44) | ALDH1A1ADORA3KDM4E | |
| SCHEMBL6357277 | 0.69 | ALDH1A1 (1.00) | ALDH1A1ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL28878277 | 0.68 | PTGDR2 (0.50) | HPGDIDO1POLBRECQLKDM4E | |
| SCHEMBL28329954 | 0.68 | CNR2 (0.48) | ALDH1A1POLBLMNANPC1RAB9A |
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 |