Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12828086 | 0.84 | PTGS2 (0.47) | ARALDH1A1PTGS2 | |
| SCHEMBL12828083 | 0.80 | PKM (0.42) | SIGMAR1TSHRPDK2RORCTRPA1 | |
| SCHEMBL8225438 | 0.80 | SIGMAR1 (0.42) | SIGMAR1TSHRKCNH2TMEM97 | |
| SCHEMBL23773234 | 0.80 | SIGMAR1 (0.38) | SIGMAR1TSHRRXRARXRBRXRG | |
| SCHEMBL12828085 | 0.79 | CA2 (0.50) | ALDH1A1PTGS2 | |
| SCHEMBL20669918 | 0.79 | ALDH1A1 (0.46) | SIGMAR1TSHRTRPA1ALDH1A1FFAR4 | |
| SCHEMBL8185415 | 0.79 | EPHX1 (0.44) | SIGMAR1TSHRRORCALDH1A1IDO1 | |
| SCHEMBL25354718 | 0.79 | TSHR (0.37) | SIGMAR1TSHRPDK2CTSSCTSK | |
| SCHEMBL12828088 | 0.79 | SIGMAR1 (0.43) | SIGMAR1TSHRPDK2TRPA1ALDH1A1 | |
| SCHEMBL13073516 | 0.79 | CA2 (0.50) | ALDH1A1PTGS2 |
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-2023288253-A1 | SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-01-19 | — | — | WO | disclosed |