Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL23916172 | 0.76 | CA12 (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4912628 | 0.67 | CA12 (0.30) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4912954 | 0.65 | — | — | |
| SCHEMBL4952845 | 0.63 | CDC7 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28076213 | 0.63 | KDM4E (0.30) | — | |
| Hydroquinone SCHEMBL60032 | 0.59 | LTA4H (0.52) | LTA4HCA12CA1CA2CA7 | |
| Hydroquinone SCHEMBL2212873 | 0.59 | LTA4H (0.52) | LTA4HCA12CA1CA2CA7 | |
| Hydroquinone SCHEMBL925171 | 0.59 | LTA4H (0.52) | LTA4HCA12CA1CA2CA7 | |
| SCHEMBL4908692 | 0.59 | CA12 (0.30) | CA12CA1CA2CA7CA9 | |
| Hydroquinone SCHEMBL8536783 | 0.59 | LTA4H (0.52) | LTA4HCA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892616-A1 | AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE | Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |