Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.43 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL4303695 | 1.00 | CYP2D6 (0.45) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| SCHEMBL404587 | 0.98 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| SCHEMBL1227337 | 0.98 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| SCHEMBL1248549 | 0.98 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| SCHEMBL1248551 | 0.98 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| SCHEMBL4303701 | 0.95 | CYP2D6 (0.45) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| SCHEMBL17743413 | 0.85 | CYP2D6 (0.52) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| SCHEMBL8256069 | 0.83 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| SCHEMBL1117719 | 0.83 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP1A2ALOX15SLC1A3 | |
| Toluene SCHEMBL27870779 | 0.80 | REN (0.39) | TSHRLMNASLC6A11SMN1; SMN2CHRNB2 |
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-105764887-A | Nitrogen-containing saturated heterocyclic compound | 住友化学株式会社 | 2016-07-13 | — | — | CN | disclosed |