Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.48 |
| ▸ | NCF1 | P14598 | 3/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.44 |
| ▸ | HTR3B | O95264 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL30297103 | 1.00 | ADRB1 (0.48) | ADRB1NCF1ADRB2HTR7HTR3E | |
| SCHEMBL2366124 | 0.82 | ADRB1 (0.50) | ADRB1NCF1ADRB2HTR7HTR3E | |
| SCHEMBL30484798 | 0.79 | NCF1 (0.48) | ADRB1NCF1HTR7HTR3EHTR3B | |
| SCHEMBL18291599 | 0.79 | NCF1 (0.48) | ADRB1NCF1HTR7HTR3EHTR3B | |
| SCHEMBL20255446 | 0.79 | HTR7 (0.44) | ADRB1NCF1HTR7HTR3EHTR3B | |
| SCHEMBL20249187 | 0.79 | HTR6 (0.45) | ADRB1NCF1ADRB2HTR7HTR3E | |
| Hydrochloric Acid SCHEMBL30888868 | 0.79 | ALDH1A1 (0.45) | HTR2C | |
| SCHEMBL2881030 | 0.79 | HTR1A (0.46) | ADRB1NCF1ADRB2HTR7HTR3E | |
| SCHEMBL24632960 | 0.76 | CDK4 (0.41) | HRH1CYP2D6TSHRHSD17B10 | |
| SCHEMBL24197880 | 0.75 | HTR3E (0.41) | ADRB1HTR7HTR3EHTR3BHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |