Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.31 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.31 |
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 SCHEMBL28048104 | 0.81 | CYP2C9 (0.34) | KDM4E | |
| Formamide SCHEMBL446005 | 0.80 | MAPT (0.49) | MAPTKDM4ESMN1; SMN2KMT2APOLB | |
| Butane SCHEMBL18670328 | 0.80 | MAPT (0.41) | MAPTKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL391812 | 0.80 | — | — | |
| SCHEMBL13359011 | 0.80 | MAPT (0.45) | MAPTKDM4ESMN1; SMN2KMT2APOLB | |
| SCHEMBL29445963 | 0.80 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27621641 | 0.79 | KMT2A (0.37) | MAPTKDM4ESMN1; SMN2KMT2ARAB9A | |
| Ethoxycarbonyl Group SCHEMBL28036672 | 0.78 | HSP90AA1 (0.55) | MAPTKDM4ESMN1; SMN2KMT2ARAB9A | |
| Ethoxycarbonyl Group SCHEMBL27713752 | 0.78 | KMT2A (0.36) | MAPTKDM4ESMN1; SMN2KMT2ARAB9A | |
| Ethoxycarbonyl Group SCHEMBL27836255 | 0.78 | CDC7 (0.37) | MAPTKDM4ESMN1; SMN2KMT2ARAB9A |
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-109983001-A | 2, 5-disubstituted 3-methylpyrazine and 2,5, 6-trisubstituted 3-methylpyrazine as allosteric SHP2 inhibitors | 锐新医药公司 | 2019-07-05 | — | — | CN | disclosed |