Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 9/20 | 0.62 |
| ▸ | NOS2 | P35228 | 7/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10481212 | 0.78 | NOS3 (0.65) | NOS3NOS2ACHETSHRMETAP1 | |
| SCHEMBL8060964 | 0.77 | NOS3 (1.00) | NOS3NOS2ACHETSHR | |
| SCHEMBL11742766 | 0.77 | NOS3 (0.62) | NOS3NOS2ACHETSHRMETAP1 | |
| Iodide SCHEMBL8098294 | 0.76 | NOS3 (0.96) | NOS3NOS2ACHETSHR | |
| Hydrochloric Acid SCHEMBL9530199 | 0.75 | NOS3 (0.56) | NOS3NOS2ACHETSHRMETAP1 | |
| SCHEMBL5418672 | 0.73 | TSHR (0.49) | NOS3NOS2ACHETSHRHTR2A | |
| SCHEMBL11750271 | 0.73 | NOS3 (0.62) | NOS3NOS2ACHETSHRMETAP1 | |
| SCHEMBL18644310 | 0.72 | NOS3 (0.56) | NOS3NOS2ACHETSHRHTR1A | |
| SCHEMBL11745091 | 0.72 | NOS3 (0.56) | NOS3NOS2ACHETSHRMETAP1 | |
| SCHEMBL8099687 | 0.70 | NOS3 (0.54) | NOS3NOS2ACHETSHRMETAP1 |
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-107207464-B | Substituted dihydro-isoquinoline ketone compound | 辉瑞大药厂 | 2019-10-22 | — | — | CN | disclosed |
| CN-107207464-A | Substituted dihydro-isoquinoline assimilation compound | 辉瑞大药厂 | 2017-09-26 | — | — | CN | disclosed |