Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.56 |
| ▸ | CA2 | P00918 | 5/20 | 0.56 |
| ▸ | CA9 | Q16790 | 4/20 | 0.56 |
| ▸ | CA4 | P22748 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ESRRA | P11474 | 4/20 | 0.45 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | DDX3X | O00571 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL2330243 | 0.85 | CA1 (0.57) | CA1CA2CA9CA4NPC1 | |
| SCHEMBL28033305 | 0.85 | CA1 (0.57) | CA1CA2CA9CA4NPC1 | |
| SCHEMBL27911606 | 0.83 | CA1 (0.56) | CA1CA2CA9CA4NPC1 | |
| SCHEMBL14701729 | 0.83 | CA1 (0.56) | CA1CA2CA9CA4NPC1 | |
| SCHEMBL30398809 | 0.83 | CA1 (0.59) | CA1CA2CA9CA4NPC1 | |
| SCHEMBL23153549 | 0.83 | ESRRA (0.59) | CA1CA2CA9CA4NPC1 | |
| SCHEMBL28033861 | 0.81 | NOTUM (0.57) | NPC1RAB9ASMN1; SMN2ESRRAKMT2A | |
| SCHEMBL24380270 | 0.80 | CA1 (0.52) | CA1CA2CA9CA4NPC1 | |
| SCHEMBL24785615 | 0.80 | CA1 (0.52) | CA1CA2CA9CA4NPC1 | |
| SCHEMBL30401102 | 0.76 | GPR119 (0.52) | CA1CA2CA9CA4NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022240541-A1 | NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. (US) | 2022-11-17 | — | — | WO | disclosed |
| CN-104926738-B | Application of 1,2,3-triazole-4-hydrazide derivatives to preparation of agricultural bactericide | 南京农业大学 | 2017-05-24 | — | — | CN | disclosed |
| CN-104926738-A | Application of 1,2,3-triazole-4-hydrazide derivatives to preparation of agricultural bactericide | UNIV NANJING AGRICULTURAL | 2015-09-23 | — | — | CN | disclosed |