Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 10/20 | 0.55 |
| ▸ | QDPR | P09417 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 4/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 4/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.38 |
| ▸ | DRD1 | P21728 | 3/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15352868 | 0.89 | HTR2C (0.40) | HTR2CPOLB | |
| SCHEMBL29158032 | 0.79 | QDPR (0.47) | HTR2CQDPRSIGMAR1SLC18A3TLR9 | |
| SCHEMBL27786069 | 0.78 | HTR2C (0.59) | HTR2CQDPRSIGMAR1SLC18A3PTPN5 | |
| SCHEMBL28685864 | 0.78 | QDPR (0.47) | HTR2CQDPRSIGMAR1P2RY14TLR9 | |
| SCHEMBL2097686 | 0.77 | QDPR (0.49) | HTR2CQDPRSIGMAR1SLC18A3TLR9 | |
| SCHEMBL28691834 | 0.75 | DRD2 (0.37) | HTR2CQDPRSIGMAR1DRD3SLC6A4 | |
| SCHEMBL28689924 | 0.74 | KCNH2 (0.38) | TLR9TLR8TLR7HTR1ADRD3 | |
| SCHEMBL28685717 | 0.74 | DRD2 (0.48) | SLC18A3TLR9TLR8TLR7DRD3 | |
| SCHEMBL3719147 | 0.72 | HTR2C (0.61) | HTR2CQDPRSIGMAR1SLC18A3PTPN5 | |
| SCHEMBL28692618 | 0.72 | DRD2 (0.43) | TLR9TLR8TLR7SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111574422-A | Phenyl difluoromethyl substituted prolyl compounds | 安斯泰来制药株式会社 | 2020-08-25 | — | — | CN | disclosed |
| CN-110248925-B | Phenyl difluoromethyl substituted prolyl compounds | 安斯泰来制药株式会社 | 2020-07-17 | — | — | CN | disclosed |
| CN-110248925-A | Phenyl difluoromethyl substituted prolyl compounds | 安斯泰来制药株式会社 | 2019-09-17 | — | — | CN | disclosed |