Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1850336 | 0.81 | MAOA (0.46) | NOS3NOS1NOS2ADRA2AADRA2B | |
| SCHEMBL1629938 | 0.78 | — | — | |
| SCHEMBL7713660 | 0.75 | NOS3 (0.46) | NOS3NOS1NOS2ADRA2AADRA2B | |
| SCHEMBL6603664 | 0.72 | NOS3 (0.44) | NOS3NOS1NOS2ADRA2AADRA2B | |
| SCHEMBL1849181 | 0.69 | HRH3 (0.44) | NOS3NOS1NOS2ADRA2AADRA2B | |
| SCHEMBL3499052 | 0.69 | MAOA (0.50) | NOS3NOS1NOS2ADRA2AADRA2B | |
| SCHEMBL3499053 | 0.69 | MAOA (0.50) | NOS3NOS1NOS2ADRA2AADRA2B | |
| SCHEMBL1850348 | 0.67 | ADRA2A (0.48) | NOS3NOS1NOS2ADRA2AADRA2B | |
| SCHEMBL804309 | 0.67 | TDP1 (0.70) | ALDH1A1KCNA5CYP2D6KCNE1MAPT | |
| SCHEMBL8604224 | 0.67 | TDP1 (0.70) | ALDH1A1KCNA5CYP2D6KCNE1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2528920-A2 | BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE | Hanmi Pharm. Co., Ltd. (KR) | 2012-12-05 | — | — | EP | claimed |
| WO-2011093672-A2 | BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE | HANMI PHARM. CO., LTD. (KR) | 2011-08-04 | — | — | WO | claimed |
| EP-2528920-A2 | BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE | Hanmi Pharm. Co., Ltd. (KR) | 2012-12-05 | — | — | EP | disclosed |
| WO-2011093672-A2 | BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE | HANMI PHARM. CO., LTD. (KR) | 2011-08-04 | — | — | WO | disclosed |