Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.54 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2319774 | 0.82 | ADORA2A (0.59) | MPOLTB4RCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL30186674 | 0.78 | KDR (0.50) | MPOLTB4RCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21306242 | 0.78 | CALM1 (0.61) | MPOLTB4RCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21306209 | 0.78 | CYP2C9 (0.50) | MPOLTB4RCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16943987 | 0.74 | MPO (0.53) | MPOLTB4RCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2329393 | 0.74 | MEN1 (0.63) | CYP1A2CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL10698612 | 0.73 | MPO (0.47) | MPOLTB4RCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27313299 | 0.73 | DCPS (0.55) | MPOLTB4RCYP1A2ALDH1A1ADORA2A | |
| SCHEMBL14665691 | 0.73 | ADORA2A (0.53) | CYP3A4ADORA2AADORA1CSNK1A1CLK4 | |
| SCHEMBL28242515 | 0.72 | CALM1 (0.48) | MPOLTB4RCYP1A2CYP3A4CYP2C9 |
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-102822150-B | 1,2, 4-triazin-4-amine derivatives | HEPTARES THERAPEUTICS LTD | 2014-12-03 | — | — | CN | disclosed |