Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | AHR | P35869 | 2/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.45 |
| ▸ | VDR | P11473 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16627091 | 0.90 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL16624692 | 0.88 | KMT2A (0.47) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL16627093 | 0.86 | MEN1 (0.43) | SMN1; SMN2KMT2AUSP2LMNAALDH1A1 | |
| SCHEMBL16624714 | 0.84 | SMN1; SMN2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL20216022 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL20216025 | 0.82 | ALDH1A1 (0.45) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL16624695 | 0.79 | PDE4B (0.48) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL16624736 | 0.75 | ALDH1A1 (0.49) | CYP1A2CYP3A4CYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL601233 | 0.75 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL29587463 | 0.75 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2B6AHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015051044-A2 | NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE | NOVARTIS AG (CH) | 2015-04-09 | — | — | WO | disclosed |