Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 7/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30238767 | 1.00 | PDE2A (0.50) | PDE2AADRB2IDO1SLC6A4HTR2A | |
| SCHEMBL22868059 | 0.83 | ESR1 (0.34) | PDE2ASLC6A4HTR2AHTR2BCYP1A2 | |
| SCHEMBL12050478 | 0.83 | IDO1 (0.47) | PDE2AIDO1CYP2D6CYP2C9 | |
| SCHEMBL22423075 | 0.80 | PDE2A (0.36) | PDE2AIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL18103202 | 0.79 | PTPN5 (0.42) | PDE2ACYP2C19CYP2C9ESR1ESR2 | |
| SCHEMBL34471882 | 0.79 | TAAR1 (0.55) | SLC6A4HTR2AHTR2CHTR2BTAAR1 | |
| SCHEMBL25020191 | 0.77 | HTR2A (0.45) | PDE2ASLC6A4HTR2AHTR2CHTR2B | |
| SCHEMBL21133179 | 0.77 | HTR2A (0.45) | PDE2ASLC6A4HTR2AHTR2CHTR2B | |
| SCHEMBL18266315 | 0.77 | PDE2A (0.44) | PDE2AADRB2HTR2AESR1ESR2 | |
| SCHEMBL7670360 | 0.76 | ESR1 (0.38) | IDO1SLC6A4HTR2AHTR2BCYP3A4 |
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-111518166-B | Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-111518166-A | Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2020-08-11 | — | — | CN | disclosed |