Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.46 |
| ▸ | GRM3 | Q14832 | 3/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | PTPRF | P10586 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CDC25A | P30304 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | CDC25C | P30307 | 1/20 | 0.42 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8492628 | 0.86 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNB4CHRNA3CHEK2 | |
| SCHEMBL8489816 | 0.85 | ALDH1A1 (0.52) | CHRNB2CHRNA4CHEK2ALDH1A1NPC1 | |
| SCHEMBL8487460 | 0.81 | HTR1A (0.50) | PTPN1 | |
| SCHEMBL6604899 | 0.80 | ESR1 (0.67) | ALDH1A1ESR1ESR2 | |
| SCHEMBL8599886 | 0.78 | ESR1 (0.65) | ESR1ESR2 | |
| SCHEMBL8491305 | 0.78 | CHEK2 (0.47) | CHEK2ALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL7954778 | 0.78 | TDP1 (0.56) | MAOAMAOB | |
| SCHEMBL7502103 | 0.78 | NPC1 (0.66) | ALDH1A1PTPRCPTPRFPTPN1CDC25A | |
| SCHEMBL8490349 | 0.77 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3CHEK2 | |
| SCHEMBL8490356 | 0.77 | KDM2B (0.51) | CHEK2ALDH1A1NPC1ESR1KDM2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999015521-A1 | BENZOTHIOPHENES | ELI LILLY AND COMPANY (US) | 1999-04-01 | — | — | WO | disclosed |