Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27621641 | 0.81 | KMT2A (0.37) | CA12CA1CA2CA9CA14 | |
| Ethoxycarbonyl Group SCHEMBL27836255 | 0.79 | CDC7 (0.37) | CA12CA1CA2CA9CA14 | |
| Ethoxycarbonyl Group SCHEMBL27713752 | 0.79 | KMT2A (0.36) | CA12CA1CA2CA9CA14 | |
| Ethoxycarbonyl Group SCHEMBL28310600 | 0.78 | MAPT (0.43) | KMT2ASMN1; SMN2RAB9ANPC1TP53 | |
| Ethoxycarbonyl Group SCHEMBL27602841 | 0.77 | SMN1; SMN2 (0.32) | KMT2ASMN1; SMN2RAB9ANPC1TP53 | |
| Pyrazine SCHEMBL27608305 | 0.77 | KMT2A (0.31) | KMT2A | |
| 2-Aminopyridine SCHEMBL27810269 | 0.76 | NOS3 (0.55) | NOS3NOS1NOS2KMT2ASMN1; SMN2 | |
| Amifampridine SCHEMBL28108845 | 0.76 | GAA (0.40) | CA12CA1CA2CA9CA14 | |
| Pyrazine SCHEMBL28076131 | 0.75 | — | — | |
| Pyrazine SCHEMBL27608298 | 0.75 | — | — |
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-105111154-A | Novel technology for synthesizing 5-aminopyrazine-2-methanoic acid | SHANGHAI RAINBOW CHEMISTRY CO LTD | 2015-12-02 | — | — | CN | disclosed |