Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HBB | P68871 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1119175 | 0.94 | CA2 (0.58) | CA2CA1NPC1TSHRRAB9A | |
| SCHEMBL1119174 | 0.94 | CA2 (0.58) | CA2CA1NPC1TSHRRAB9A | |
| SCHEMBL29444745 | 0.91 | CA2 (0.58) | CA2CA1NPC1TSHRRAB9A | |
| SCHEMBL28709527 | 0.91 | CA2 (0.58) | CA2CA1NPC1TSHRRAB9A | |
| SCHEMBL1044791 | 0.91 | CA2 (0.58) | CA2CA1NPC1TSHRRAB9A | |
| SCHEMBL29444759 | 0.91 | CA2 (0.58) | CA2CA1NPC1TSHRRAB9A | |
| SCHEMBL1119121 | 0.91 | CA2 (0.58) | CA2CA1NPC1TSHRRAB9A | |
| SCHEMBL407539 | 0.86 | ADRA2A (0.60) | CA2NPC1RAB9ASMN1; SMN2HTR1A | |
| SCHEMBL568115 | 0.86 | ADRA2A (0.60) | CA2NPC1RAB9ASMN1; SMN2HTR1A | |
| SCHEMBL3266284 | 0.86 | ADRA2A (0.60) | CA2NPC1RAB9ASMN1; SMN2HTR1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109824646-B | Method for synthesizing optically pure 2-hydroxymethyl-1, 4-benzodioxan and derivative thereof | 陕西师范大学 | 2021-12-07 | — | — | CN | disclosed |