Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5881024 | 0.73 | SIGMAR1 (0.39) | SIGMAR1 | |
| SCHEMBL5880902 | 0.73 | SIGMAR1 (0.38) | SIGMAR1 | |
| SCHEMBL5881085 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL1356645 | 0.57 | SIGMAR1 (0.65) | SIGMAR1 | |
| SCHEMBL1270023 | 0.57 | SIGMAR1 (0.67) | SIGMAR1 | |
| SCHEMBL9069707 | 0.56 | HTR2A (0.75) | MAOAMAOBSIGMAR1ADRA1ASLC6A3 | |
| SCHEMBL4311007 | 0.55 | SIGMAR1 (0.70) | SIGMAR1 | |
| SCHEMBL11077277 | 0.55 | SIGMAR1 (0.70) | SIGMAR1 | |
| SCHEMBL17715339 | 0.55 | SIGMAR1 (0.70) | SIGMAR1 | |
| SCHEMBL17715341 | 0.55 | SIGMAR1 (0.70) | SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107739371-A | A kind of Tetrahydrocarbazolesand small molecular organic compounds and its purposes in antibacterials are prepared and preparation method thereof | 华东师范大学 | 2018-02-27 | — | — | CN | disclosed |