Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23058487 | 0.91 | PDE2A (0.47) | PDE2AHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL23058734 | 0.77 | PDE2A (0.44) | PDE2AHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL20746964 | 0.75 | PDE2A (0.47) | PDE2AHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL19506428 | 0.75 | PDE2A (0.48) | PDE2AHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL28183071 | 0.74 | HDAC3 (0.47) | PDE2AHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL19506041 | 0.74 | PDE2A (0.46) | PDE2AHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL2093549 | 0.73 | PDE2A (0.53) | PDE2AHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL10087166 | 0.73 | PDE2A (0.49) | PDE2AALDH1A1SLC7A5SLC6A4SLC6A3 | |
| SCHEMBL10087250 | 0.73 | PDE2A (0.51) | PDE2AALDH1A1SLC7A5EPHX1SLC6A4 | |
| SCHEMBL1728974 | 0.73 | SLC2A1 (0.55) | PDE2AHDAC3HDAC1HDAC2ALDH1A1 |
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-2021041588-A1 | SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-03-04 | — | — | WO | disclosed |