Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6048529 | 0.84 | BACE1 (0.58) | BACE1GRM5HTR7SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL6048554 | 0.83 | BACE1 (0.57) | BACE1GRM5HTR7SLC6A2SLC6A4 | |
| SCHEMBL5884334 | 0.81 | CALM1 (0.42) | BACE1GRM5HTR7SLC6A2SLC6A4 | |
| SCHEMBL7752297 | 0.80 | MAOB (0.41) | GRM5ESR1ESR2HTR7HTR1A | |
| SCHEMBL6680825 | 0.73 | BRD4 (0.49) | GRM5ESR1ESR2KDM4E | |
| SCHEMBL6048510 | 0.70 | HTR2A (0.56) | BACE1HTR7SLC6A4HTR1AABCB1 | |
| SCHEMBL12054106 | 0.70 | CALM1 (0.48) | SLC6A2SLC6A4SLC6A3HTR1ATSHR | |
| SCHEMBL6048547 | 0.69 | BACE1 (0.55) | BACE1PTGER1HTR7SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL6048492 | 0.69 | HTR2A (0.55) | BACE1HTR7SLC6A4HTR1AABCB1 | |
| SCHEMBL13007829 | 0.69 | MAOB (0.50) | MAPTMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7064236-B2 | Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds | GRUNENTHAL GMBH (DE) | 2006-06-20 | — | — | US | claimed |