Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PDE8A | O60658 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | BAK1 | Q16611 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | MAT2A | P31153 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| SCHEMBL2713959 | 0.87 | POLB (0.37) | LMNAPOLBTDP1PDE8AACACB | |
| SCHEMBL2716128 | 0.82 | GABRA5 (0.46) | SMN1; SMN2POLBTDP1ACACBKMT2A | |
| SCHEMBL30183367 | 0.82 | NAPRT (0.40) | SMN1; SMN2POLBTDP1PDE8AACACB | |
| SCHEMBL24892184 | 0.82 | NAPRT (0.40) | SMN1; SMN2POLBTDP1PDE8AACACB | |
| SCHEMBL4299384 | 0.80 | MAPT (0.50) | SMN1; SMN2LMNAKEAP1NFE2L2POLB | |
| SCHEMBL2714192 | 0.79 | TDP1 (0.65) | SMN1; SMN2POLBTDP1MCL1BAK1 | |
| SCHEMBL2715161 | 0.79 | L3MBTL1 (0.54) | SMN1; SMN2LMNAKEAP1NFE2L2POLB | |
| SCHEMBL671738 | 0.76 | TDP1 (0.37) | SMN1; SMN2LMNAKEAP1NFE2L2POLB | |
| SCHEMBL31388800 | 0.76 | MCL1 (0.53) | SMN1; SMN2LMNAPOLBMCL1BAK1 | |
| SCHEMBL1300585 | 0.74 | TDP1 (0.66) | SMN1; SMN2LMNAKEAP1NFE2L2POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104520296-B | Pyrrolopyridinone derivatives as TTX-S blocker | 拉夸里亚创药株式会社 | 2016-11-16 | — | — | CN | disclosed |
| CN-104520296-A | Pyrrolopyridinone derivatives as TTX-S blockers | RAQUALIA PHARMA INC | 2015-04-15 | — | — | CN | disclosed |