Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29097942 | 1.00 | CD274 (0.51) | CD274HRH3ADRA2AADRA2BADRA2C | |
| SCHEMBL29097928 | 0.87 | CD274 (0.47) | CD274HRH3ADRA2AADRA2BADRA2C | |
| SCHEMBL30199588 | 0.87 | CD274 (0.47) | CD274HRH3ADRA2AADRA2BADRA2C | |
| SCHEMBL30199260 | 0.81 | IDO1 (0.46) | CD274HRH3ADRA2AADRA2BADRA2C | |
| SCHEMBL29097819 | 0.81 | IDO1 (0.46) | CD274HRH3ADRA2AADRA2BADRA2C | |
| SCHEMBL29097941 | 0.81 | MAOB (0.52) | HRH3ADRA2AADRA2BADRA2CMELK | |
| SCHEMBL30199270 | 0.81 | MAOB (0.52) | HRH3ADRA2AADRA2BADRA2CMELK | |
| SCHEMBL30199170 | 0.79 | MAOB (0.56) | CD274HRH3 | |
| SCHEMBL29097827 | 0.79 | CD274 (0.57) | CD274HRH3ADRA2AADRA2BADRA2C | |
| SCHEMBL29097880 | 0.79 | MAOB (0.56) | CD274HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115594669-B | Parallel ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2024-11-05 | — | — | CN | disclosed |
| CN-115594669-A | Fused ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |