Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3049461 | 0.76 | CES2 (0.41) | MAOBEPHX2NR1H4HDAC6CES2 | |
| SCHEMBL4123049 | 0.76 | CES2 (0.41) | MAOBEPHX2NR1H4CES2CES1 | |
| SCHEMBL24956830 | 0.73 | MRGPRX4 (0.55) | EPHX2NR1H4ALDH1A1 | |
| SCHEMBL24956819 | 0.72 | EPHX2 (0.55) | EPHX2CES2CES1 | |
| SCHEMBL20115903 | 0.71 | KIF11 (0.53) | IDO1 | |
| SCHEMBL18707178 | 0.70 | KDM4E (0.53) | CES2CES1 | |
| SCHEMBL29470947 | 0.69 | CES2 (0.67) | CES2CES1ALDH1A1 | |
| SCHEMBL192962 | 0.69 | CES2 (0.67) | CES2CES1ALDH1A1 | |
| SCHEMBL30308280 | 0.69 | KIF11 (0.56) | CES2CES1 | |
| SCHEMBL662965 | 0.69 | KIF11 (0.56) | CES2CES1 |
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 |