Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MYC | P01106 | 2/20 | 0.46 |
| ▸ | SPR | P35270 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | KDM5A | P29375 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.44 |
| ▸ | AVPR2 | P30518 | 3/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23901480 | 0.83 | AVPR2 (0.42) | SPRAVPR2MGLLSCD5 | |
| SCHEMBL23901481 | 0.83 | AVPR2 (0.42) | SPRAVPR2MGLLSCD5 | |
| SCHEMBL23901530 | 0.78 | AVPR2 (0.43) | SPRAVPR2MGLLSCD5 | |
| SCHEMBL23901529 | 0.77 | AVPR2 (0.42) | SPRHPGDAVPR2MGLLSCD5 | |
| SCHEMBL23901647 | 0.73 | AVPR2 (0.42) | AVPR2 | |
| SCHEMBL25453329 | 0.73 | AVPR2 (0.50) | ALDH1A1SPRTSHRLMNAHPGD | |
| SCHEMBL25453375 | 0.73 | AVPR2 (0.50) | ALDH1A1SPRTSHRLMNAHPGD | |
| SCHEMBL23901568 | 0.73 | AVPR2 (0.40) | SPRAVPR2MGLL | |
| SCHEMBL22368350 | 0.69 | NR1H2 (0.46) | LMNAHPGDAVPR2MGLL | |
| SCHEMBL22625946 | 0.69 | NAMPT (0.48) | ALDH1A1HPGDAVPR2MGLL |
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-2021202600-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |