Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LSS | P48449 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27793466 | 0.82 | LSS (0.40) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL585831 | 0.79 | NR5A1 (0.61) | CYP2D6CYP3A4KDM4EALDH1A1TSHR | |
| SCHEMBL584742 | 0.79 | NR5A1 (0.61) | CYP2D6CYP3A4KDM4EALDH1A1TSHR | |
| SCHEMBL584948 | 0.79 | NR5A1 (0.61) | CYP2D6CYP3A4KDM4EALDH1A1TSHR | |
| SCHEMBL584874 | 0.79 | NR5A1 (0.61) | CYP2D6CYP3A4KDM4EALDH1A1TSHR | |
| SCHEMBL584867 | 0.79 | NR5A1 (0.61) | CYP2D6CYP3A4KDM4EALDH1A1TSHR | |
| SCHEMBL585219 | 0.79 | NR5A1 (0.43) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL588822 | 0.79 | NR5A1 (0.43) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL586281 | 0.79 | NR5A1 (0.61) | CYP2D6CYP3A4KDM4EALDH1A1TSHR | |
| SCHEMBL585101 | 0.79 | NR5A1 (0.61) | CYP2D6CYP3A4KDM4EALDH1A1TSHR |
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-104667883-A | Preparation method of material for detecting and adsorbing ferrous ions and copper ions in water body simultaneously | UNIV NANCHANG HANGKONG | 2015-06-03 | — | — | CN | disclosed |