Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | CASP1 | P29466 | 5/20 | 0.40 |
| ▸ | CASP7 | P55210 | 5/20 | 0.40 |
| ▸ | USP2 | O75604 | 4/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31452802 | 0.75 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL15660874 | 0.71 | ADRB1 (0.43) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL7128234 | 0.70 | TOP2A (0.38) | TDO2ALDH1A1MEN1KMT2ACLK4 | |
| SCHEMBL16968469 | 0.69 | CDK8 (0.59) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL219003 | 0.69 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL18789395 | 0.69 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL9438562 | 0.68 | ALDH1A1 (0.46) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL14027112 | 0.68 | RPS6KB2 (0.53) | TDO2ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL18133656 | 0.68 | ERN1 (0.50) | TDO2ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL28423248 | 0.67 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 |
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-106117194-A | Can be used as 2 benzyls of SGC stimulant, 3 (pyrimidine 2 base) substituted pyrazoles | 铁木医药有限公司 | 2016-11-16 | — | — | CN | disclosed |