Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | ARG1 | P05089 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7340980 | 1.00 | CYP2D6 (0.47) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3450012 | 1.00 | CYP2D6 (0.47) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL9297990 | 1.00 | CYP2D6 (0.47) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3771173 | 1.00 | CYP2D6 (0.47) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3450013 | 1.00 | CYP2D6 (0.47) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| Hydrochloric Acid SCHEMBL16287994 | 0.98 | CYP1A2 (0.46) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| Hydrochloric Acid SCHEMBL17600576 | 0.98 | CYP1A2 (0.46) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| Hydrochloric Acid SCHEMBL16288453 | 0.98 | CYP1A2 (0.46) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL2339279 | 0.86 | CYP2D6 (0.44) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL13675316 | 0.86 | CYP2D6 (0.44) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3636807-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | Chugai Seiyaku Kabushiki Kaisha (JP) | 2020-04-15 | — | — | EP | disclosed |