Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 3/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | 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 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | HTR5A | P47898 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2366124 | 0.82 | ADRB1 (0.50) | NCF1ADRB1ADRB2HTR3EHTR3B | |
| SCHEMBL20203510 | 0.81 | NCF1 (0.49) | NCF1HTR3AHRH3NOS3NOS1 | |
| SCHEMBL29814673 | 0.81 | NCF1 (0.49) | NCF1HTR3AHRH3NOS3NOS1 | |
| SCHEMBL18291599 | 0.79 | NCF1 (0.48) | NCF1ADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL21815399 | 0.79 | CHRNB2 (0.47) | NCF1ADRB1ADRB2HTR3EHTR3B | |
| SCHEMBL30484798 | 0.79 | NCF1 (0.48) | NCF1ADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL21698767 | 0.79 | NCF1 (0.48) | NCF1NOS3NOS1NOS2TSHR | |
| SCHEMBL20037462 | 0.79 | ADRB1 (0.47) | NCF1ADRB1ADRB2HTR3EHTR3B | |
| SCHEMBL28541094 | 0.78 | NCF1 (0.54) | NCF1ADRB1ADRB2HTR3EHTR3B | |
| SCHEMBL20249385 | 0.78 | HTR6 (0.47) | NCF1ADRB1ADRB2HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |