Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | BMX | P51813 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 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 | |
|---|---|---|---|---|
| SCHEMBL7763036 | 0.92 | CA12 (0.53) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL29597362 | 0.90 | CA12 (0.56) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL21905500 | 0.90 | CA12 (0.56) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL25124886 | 0.87 | ALDH1A1 (0.48) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL25125268 | 0.84 | CYP1A2 (0.45) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL28364735 | 0.83 | CA12 (0.49) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL29732781 | 0.83 | TNF (0.52) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL29463735 | 0.83 | TNF (0.52) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL623148 | 0.83 | TNF (0.52) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL867854 | 0.83 | TNF (0.52) | CA12CA1CA2CA9CYP1A2 |
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-117545736-A | Compound, material for organic electroluminescent element, and electronic device | 出光兴产株式会社 | 2024-02-09 | — | — | CN | disclosed |