Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | DCPS | Q96C86 | 2/20 | 0.46 |
| ▸ | TYMS | P04818 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL12733658 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19DCPS | |
| SCHEMBL28084003 | 0.78 | BACE1 (0.46) | CYP1A2DCPSTYMSKDM4EALDH1A1 | |
| SCHEMBL17158157 | 0.78 | DHFR (0.46) | CYP1A2DCPSTYMSKDM4EALDH1A1 | |
| SCHEMBL17557169 | 0.78 | LMNA (0.46) | CYP1A2CYP2C19DCPSTYMSKDM4E | |
| SCHEMBL28275499 | 0.77 | DCPS (0.42) | DCPSKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL28275496 | 0.77 | TYMS (0.39) | CYP1A2DCPSTYMSKDM4EALDH1A1 | |
| SCHEMBL10581936 | 0.77 | ACHE (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19DCPS | |
| SCHEMBL13976027 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12485894 | 0.74 | DCPS (0.61) | CYP1A2DCPSKDM4EALDH1A1HPGD | |
| SCHEMBL28229723 | 0.74 | ELANE (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19TYMS |
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-103254240-B | The compound comprising Phosphorescent metal complexes and the OLED comprising described compound | 通用显示公司 | 2016-06-22 | — | — | CN | disclosed |