Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | F9 | P00740 | 1/20 | 0.41 |
| ▸ | F11 | P03951 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28242972 | 0.86 | ADRB2 (0.59) | ADRB2HRH3LOXL2TAAR1CYP2A6 | |
| SCHEMBL28052152 | 0.82 | SMN1; SMN2 (0.46) | PDK1CACNA1I | |
| SCHEMBL8522790 | 0.81 | MAP2K4 (0.47) | PDK1CACNA1I | |
| SCHEMBL24792396 | 0.78 | ADRB2 (0.56) | ADRB2HRH3LOXL2AKT2TAAR1 | |
| SCHEMBL10263741 | 0.77 | TDP1 (0.42) | CYP2C9CYP1A2 | |
| SCHEMBL21624903 | 0.75 | DGAT1 (0.54) | PDK1CACNA1I | |
| Benzylamine SCHEMBL29260508 | 0.75 | TAAR1 (0.50) | ADRB2LOXL2TAAR1CYP2A6F9 | |
| SCHEMBL12320567 | 0.74 | MAPK14 (0.44) | — | |
| SCHEMBL29536871 | 0.74 | ABL1 (0.35) | PDK1CACNA1I | |
| SCHEMBL15730888 | 0.74 | CCNB2 (0.43) | — |
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-105418686-A | Pyrazine phosphorescent iridium complex, preparation method and application thereof | CHINA BEIJING BEIDA JUBANG SCIENCE & TECH CO LTD | 2016-03-23 | — | — | CN | disclosed |