Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.46 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11558445 | 0.89 | MAPT (0.49) | CA1CA2SMN1; SMN2NPC1TP53 | |
| SCHEMBL31575669 | 0.84 | KEAP1 (0.58) | CA1CA2SMN1; SMN2NPC1TP53 | |
| SCHEMBL8415852 | 0.83 | PARP10 (0.54) | PARP10SMN1; SMN2NPC1MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL29206120 | 0.82 | KEAP1 (0.56) | CA1CA2SMN1; SMN2NPC1TP53 | |
| SCHEMBL28690878 | 0.82 | MAPT (0.50) | CA1CA2SMN1; SMN2NPC1TP53 | |
| SCHEMBL11852811 | 0.79 | KEAP1 (0.45) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL13645028 | 0.78 | KEAP1 (0.52) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL8805302 | 0.78 | MTNR1A (0.57) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL29194883 | 0.78 | PPARG (0.51) | SMN1; SMN2NPC1TP53MAPTRAB9A | |
| SCHEMBL4378408 | 0.78 | SMN1; SMN2 (0.43) | SMN1; SMN2MAPTMEN1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |