Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4714260 | 0.86 | MEN1 (0.43) | ALDH1A1SMN1; SMN2GAAKMT2ACHRNB2 | |
| SCHEMBL4716374 | 0.84 | CCR5 (0.42) | POLB | |
| SCHEMBL4713689 | 0.84 | SMN1; SMN2 (0.38) | ALDH1A1HPGDCHRM2CHRM3SMN1; SMN2 | |
| SCHEMBL4713873 | 0.83 | HRH3 (0.38) | ALDH1A1SMN1; SMN2OPRM1KMT2AMEN1 | |
| SCHEMBL1574996 | 0.80 | GRIN2B (0.57) | ALDH1A1HPGDSMN1; SMN2KMT2ARAB9A | |
| SCHEMBL4713356 | 0.80 | ALDH1A1 (0.41) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL26131091 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HPGDCHRM2CHRM3SMN1; SMN2 | |
| SCHEMBL4711851 | 0.77 | HTT (0.43) | ALDH1A1HPGDSMN1; SMN2GAAKMT2A | |
| SCHEMBL27594337 | 0.77 | CNR1 (0.41) | ALDH1A1SMN1; SMN2GAAKDM4ERAB9A | |
| SCHEMBL29027733 | 0.75 | NR1I2 (0.37) | ALDH1A1CHRM2CHRM3SMN1; SMN2OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1933830-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007007057-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | VERNALIS (R & D) LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |