Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8714181 | 0.89 | SIGMAR1 (0.40) | SIGMAR1ADRA2BADRA1AOPRK1SLC6A2 | |
| SCHEMBL8714374 | 0.87 | SIGMAR1 (0.38) | SIGMAR1ADRA2BADRA1AOPRK1SLC6A2 | |
| SCHEMBL8719058 | 0.85 | IDH1 (0.36) | SIGMAR1ADRA2BADRA1AOPRK1SLC6A2 | |
| SCHEMBL8430263 | 0.85 | SIGMAR1 (0.50) | SIGMAR1ADRA2BADRA1AOPRK1SLC6A2 | |
| SCHEMBL8713645 | 0.84 | SIGMAR1 (0.44) | SIGMAR1ADRA2BADRA1AOPRK1SLC6A2 | |
| SCHEMBL8713177 | 0.84 | SIGMAR1 (0.40) | SIGMAR1ADRA2BADRA1AOPRK1SLC6A2 | |
| SCHEMBL8713719 | 0.83 | MAPT (0.42) | ALOX15KDM4EMEN1ALDH1A1CYP3A4 | |
| SCHEMBL8718550 | 0.83 | HDAC1 (0.45) | SIGMAR1ALOX15KDM4EMEN1ALDH1A1 | |
| SCHEMBL8718156 | 0.82 | SIGMAR1 (0.42) | SIGMAR1ADRA2BADRA1AOPRK1SLC6A2 | |
| SCHEMBL8716243 | 0.81 | ACHE (0.46) | SIGMAR1ADRA2BOPRK1SLC6A2HTR2A |
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-5811293-A | CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-22 | — | — | US | disclosed |