Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.63 |
| ▸ | HTR2A | P28223 | 3/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | TACR2 | P21452 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SHBG | P04278 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| 4-Phenyl-Butylamine SCHEMBL8356098 | 1.00 | MAOA (0.63) | MAOAHTR2AKCNH2ESR1ADRA2A | |
| 4-Phenyl-Butylamine SCHEMBL8103485 | 0.98 | MAOA (0.66) | MAOAHTR2AKCNH2ESR1ADRA2A | |
| Hydrocinnamyl Alcohol SCHEMBL28833914 | 0.93 | MAOA (0.62) | MAOAHTR2AKCNH2 | |
| SCHEMBL9158637 | 0.93 | MAOA (0.62) | MAOAHTR2AKCNH2ESR1ADRA2A | |
| Monoethanolamine SCHEMBL11429253 | 0.91 | HTR2A (0.63) | MAOAHTR2AKCNH2ESR1ADRA2A | |
| Myristyl Alcohol SCHEMBL8341661 | 0.91 | KCNH2 (0.61) | HTR2AKCNH2ESR1ADRA2AADORA3 | |
| Decanol SCHEMBL4601112 | 0.91 | KCNH2 (0.61) | HTR2AKCNH2ESR1ADRA2AADORA3 | |
| Myristyl Alcohol SCHEMBL28048073 | 0.91 | KCNH2 (0.61) | HTR2AKCNH2ESR1ADRA2AADORA3 | |
| 4-Phenyl-Butylamine SCHEMBL8343768 | 0.89 | MAOA (0.79) | MAOAHTR2AKCNH2 | |
| 4-Phenyl-Butylamine SCHEMBL9373863 | 0.89 | MAOA (0.79) | MAOAHTR2AKCNH2 |
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-1999031506-A9 | PARALLEL SOLUTION PHASE SYNTHESIS OF LACTAMS | LILLY CO ELI (US) | 1999-09-16 | — | — | WO | disclosed |