Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28249834 | 1.00 | CYP3A4 (0.43) | CYP3A4ALOX15CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2366778 | 0.77 | SLC6A4 (0.41) | CYP1A2CYP2D6CYP2C19SLC6A4NR3C1 | |
| SCHEMBL16335384 | 0.77 | SLC6A4 (0.41) | CYP1A2CYP2D6CYP2C19SLC6A4NR3C1 | |
| SCHEMBL23794996 | 0.77 | SLC6A4 (0.41) | CYP1A2CYP2D6CYP2C19SLC6A4NR3C1 | |
| SCHEMBL22103844 | 0.76 | ALDH1A1 (0.39) | CYP3A4ALOX15CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2367303 | 0.76 | CYP1A2 (0.68) | CYP3A4ALOX15CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2367142 | 0.74 | NR3C1 (0.32) | NR3C1SMN1; SMN2 | |
| SCHEMBL28387389 | 0.74 | ALDH1A1 (0.38) | CYP3A4ALOX15NR3C1ALDH1A1TSHR | |
| SCHEMBL28250694 | 0.74 | ALDH1A1 (0.38) | CYP3A4ALOX15NR3C1ALDH1A1TSHR | |
| SCHEMBL24105665 | 0.73 | NR3C1 (0.32) | NR3C1 |
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-3877372-B1 | ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-08-02 | — | — | EP | disclosed |