Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28198369 | 0.74 | NISCH (0.40) | ALDH1A1SMN1; SMN2RAB9APKMHTR7 | |
| SCHEMBL5584119 | 0.73 | PTGS2 (0.44) | PTGS2ALDH1A1APPHPGDSMN1; SMN2 | |
| SCHEMBL806848 | 0.71 | PTGS2 (0.45) | PTGS2ALDH1A1APPHPGDSMN1; SMN2 | |
| SCHEMBL28275443 | 0.70 | NISCH (0.42) | ALDH1A1APPHPGDSMN1; SMN2CA12 | |
| SCHEMBL29429633 | 0.69 | CA1 (0.71) | ALDH1A1APPHPGDSMN1; SMN2CA12 | |
| SCHEMBL29788337 | 0.69 | CA1 (0.71) | ALDH1A1APPHPGDSMN1; SMN2CA12 | |
| SCHEMBL301996 | 0.69 | CA1 (0.71) | ALDH1A1APPHPGDSMN1; SMN2CA12 | |
| SCHEMBL1515160 | 0.68 | CA1 (0.55) | PTGS2ALDH1A1APPHPGDSMN1; SMN2 | |
| SCHEMBL3643541 | 0.66 | CA1 (0.67) | ALDH1A1APPHPGDSMN1; SMN2CA12 | |
| SCHEMBL29740506 | 0.66 | CA1 (0.67) | ALDH1A1APPHPGDSMN1; SMN2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104725295-B | Aromatic heterocyclic derivatives and its application on drug | 广东东阳光药业有限公司 | 2019-05-24 | — | — | CN | disclosed |