Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CTSC | P53634 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | MASP2 | O00187 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19286288 | 0.84 | RECQL (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL19286219 | 0.83 | CTSC (0.49) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL17470035 | 0.74 | GAA (0.33) | RECQL | |
| SCHEMBL16317652 | 0.74 | GAA (0.33) | RECQL | |
| SCHEMBL19286289 | 0.74 | KDM4E (0.37) | CYP2D6CYP1A2CYP2C19KDM4E | |
| SCHEMBL17470215 | 0.73 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL976838 | 0.73 | RECQL (0.62) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL7313727 | 0.73 | RECQL (0.62) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL7313737 | 0.73 | RECQL (0.62) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL19286181 | 0.72 | KDM4E (0.40) | CYP2D6CYP1A2CYP2C19KDM4E |
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-9744528-B2 | Metallorganocatalysis for asymmetric transformations | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-29 | — | — | US | disclosed |