Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28409100 | 1.00 | CA12 (0.36) | CA12CA1CA9ALOX5APFEN1 | |
| SCHEMBL29059218 | 0.85 | ALDH1A1 (0.43) | CA12CA1CA9ALOX5APFEN1 | |
| SCHEMBL29778052 | 0.78 | PKM (0.45) | CA12CA1CA9 | |
| SCHEMBL706380 | 0.78 | PKM (0.45) | CA12CA1CA9 | |
| SCHEMBL14638324 | 0.75 | NQO1 (0.41) | — | |
| SCHEMBL26339835 | 0.75 | NQO1 (0.41) | — | |
| SCHEMBL3463767 | 0.75 | CCR1 (0.33) | CA12CA1CA9 | |
| SCHEMBL2835557 | 0.72 | CYP1A2 (0.39) | — | |
| SCHEMBL29789405 | 0.72 | CYP1A2 (0.39) | — | |
| SCHEMBL7253918 | 0.72 | PDE4B (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111253420-B | Pyrene compound pH value fluorescent probe and preparation method and application thereof | 中国科学院化学研究所 | 2021-05-04 | — | — | CN | disclosed |
| CN-111253420-A | Pyrene compound pH value fluorescent probe and preparation method and application thereof | 中国科学院化学研究所 | 2020-06-09 | — | — | CN | disclosed |