Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL17956886 | 0.79 | HTR2C (0.40) | HTR2CHTR2AHTR2BTACR1SLC6A2 | |
| SCHEMBL28039720 | 0.77 | ALDH1A1 (0.37) | ALDH1A1 | |
| Piperazine SCHEMBL28083640 | 0.76 | TACR1 (0.42) | HTR2CHTR2AHTR2BTACR1SLC6A2 | |
| Azetidine SCHEMBL27976635 | 0.76 | TSHR (0.41) | ALDH1A1HTR2CTACR1SLC6A2SLC6A4 | |
| Piperazine SCHEMBL27484195 | 0.76 | TACR1 (0.42) | HTR2CHTR2AHTR2BTACR1SLC6A2 | |
| SCHEMBL27625376 | 0.76 | CHRM2 (0.39) | HTR2CHTR2AHTR2BTYK2 | |
| SCHEMBL28504837 | 0.75 | HTR2C (0.36) | ALDH1A1HTR2CMMP2MMP13HTR2B | |
| Piperazine SCHEMBL28258210 | 0.75 | TACR1 (0.41) | HTR2CHTR2AHTR2BTACR1SLC6A2 | |
| SCHEMBL28826190 | 0.75 | HTR2C (0.40) | HTR2CHTR2AHTR2BTACR1SLC6A2 | |
| SCHEMBL28289813 | 0.74 | TACR1 (0.43) | ALDH1A1HTR2CTACR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105025899-A | Having a2AHeterobicyclically substituted- [1 ] with antagonist properties | MERCK SHARP & DOHME | 2015-11-04 | — | — | CN | disclosed |