Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28036227 | 0.88 | SLC6A3 (0.34) | SLC6A3KDM4EPKM | |
| SCHEMBL28036658 | 0.88 | KDM4E (0.32) | KDM4EPKM | |
| SCHEMBL27743650 | 0.87 | SLC6A3 (0.43) | SLC6A3KDM4EPKMHTT | |
| SCHEMBL27764214 | 0.86 | SLC6A3 (0.33) | SLC6A3LMNA | |
| SCHEMBL27741460 | 0.86 | LY96 (0.34) | SLC6A3KDM4EPKM | |
| SCHEMBL27743460 | 0.86 | SLC6A3 (0.33) | SLC6A3FFAR1 | |
| SCHEMBL27764217 | 0.83 | SLC6A3 (0.34) | SLC6A3FFAR1CYP19A1 | |
| SCHEMBL28036656 | 0.79 | SLC6A3 (0.36) | SLC6A3CYP19A1MAPT | |
| SCHEMBL27743428 | 0.78 | NAMPT (0.37) | SLC6A3SLC6A4KDM4ELMNA | |
| SCHEMBL28036657 | 0.76 | SLC6A3 (0.35) | SLC6A3CYP19A1 |
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-105017242-A | Novel biphenyl heterocyclic derivative, preparation method and use thereof as drug | UNIV CHINA PHARMA | 2015-11-04 | — | — | CN | disclosed |