Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 2/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2898218 | 0.89 | KMT2A (0.48) | KMT2AACHEELANEHTTESR1 | |
| SCHEMBL27795310 | 0.84 | KMT2A (0.44) | KMT2AGABRA1GABRB2HTTSMN1; SMN2 | |
| SCHEMBL3529575 | 0.83 | SMN1; SMN2 (0.50) | KMT2AACHEELANEESR1HIF1A | |
| SCHEMBL15547750 | 0.83 | KMT2A (0.43) | KMT2AACHEELANEESR1HIF1A | |
| SCHEMBL7508588 | 0.81 | SMN1; SMN2 (0.43) | KMT2AACHEELANESMN1; SMN2ACLY | |
| SCHEMBL7389800 | 0.81 | ACHE (0.43) | KMT2AACHEELANEESR1HIF1A | |
| SCHEMBL28068645 | 0.81 | KMT2A (0.42) | KMT2AACHEELANEHTTESR1 | |
| SCHEMBL15548012 | 0.81 | ACHE (0.41) | KMT2AACHEGABRA1GABRB2ELANE | |
| SCHEMBL11662711 | 0.80 | THRB (0.43) | KMT2AACHEELANEHTTRECQL | |
| SCHEMBL2399695 | 0.80 | ALDH1A1 (0.43) | KMT2AACHESMN1; SMN2NPC1ALDH1A1 |
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-103687860-B | As P2X7Heterocyclic amide derivatives of receptor antagonists | 埃科特莱茵药品有限公司 | 2016-06-08 | — | — | CN | disclosed |