Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL5349302 | 0.83 | SLC6A2 (0.48) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL13081517 | 0.81 | SLC6A2 (0.47) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL12310369 | 0.81 | SLC6A2 (0.47) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL125581 | 0.81 | SLC6A2 (0.47) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL12258694 | 0.79 | SLC6A2 (0.45) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL12259279 | 0.79 | SLC6A2 (0.45) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL21884123 | 0.79 | SLC6A2 (0.45) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL13075728 | 0.79 | SLC6A2 (0.45) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL18513568 | 0.79 | SLC6A2 (0.45) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL28642995 | 0.79 | SLC6A2 (0.45) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 |
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-9617292-B2 | Method for producing novel organometallic complex and amine compound | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 2017-04-11 | — | — | US | disclosed |