Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL22175141 | 0.84 | CTSS (0.47) | CTSSCTSKPSENENALDH1A1CA2 | |
| SCHEMBL25453643 | 0.82 | CTSK (0.46) | CTSSCTSKPSENENALDH1A1CA2 | |
| SCHEMBL8293502 | 0.81 | CTSK (0.39) | CTSSCTSKCA2CA1CA7 | |
| SCHEMBL15312479 | 0.79 | CTSK (0.47) | CTSSCTSKPSENENALDH1A1CA2 | |
| Hydrochloric Acid SCHEMBL15312476 | 0.78 | CTSK (0.46) | CTSSCTSKPSENENALDH1A1CA2 | |
| Hydrochloric Acid SCHEMBL15312478 | 0.78 | CTSK (0.46) | CTSSCTSKPSENENALDH1A1CA2 | |
| SCHEMBL7569511 | 0.77 | CTSS (0.45) | CTSSCTSKPSENENALDH1A1CA2 | |
| SCHEMBL1051130 | 0.77 | CTSS (0.42) | CTSSCTSKPSENENALDH1A1CA2 | |
| SCHEMBL7569517 | 0.77 | CTSS (0.45) | CTSSCTSKPSENENALDH1A1CA2 | |
| SCHEMBL29196423 | 0.77 | CTSS (0.42) | CTSSCTSKPSENENALDH1A1CA2 |
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 |