Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | DDO | Q99489 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17034691 | 0.82 | CYP1A2 (0.47) | CA2CA1CA4CA6CYP1A2 | |
| SCHEMBL31098173 | 0.81 | GAA (0.50) | CYP1A2GAARXFP1CYP2C19TNKS2 | |
| SCHEMBL598649 | 0.81 | GAA (0.50) | CYP1A2GAARXFP1CYP2C19TNKS2 | |
| SCHEMBL7369 | 0.73 | CA2 (0.56) | CA2CA1CA4CA6CA9 | |
| SCHEMBL29410204 | 0.73 | CA2 (0.56) | CA2CA1CA4CA6CA9 | |
| SCHEMBL3638468 | 0.72 | CA2 (0.54) | CA2CA1CA4CA6CA9 | |
| Hydrochloric Acid SCHEMBL1807456 | 0.72 | CA2 (0.54) | CA2CA1CA4CA6CA9 | |
| Hydrochloric Acid SCHEMBL29377547 | 0.72 | CA2 (0.54) | CA2CA1CA4CA6CA9 | |
| Benzene SCHEMBL28180960 | 0.72 | CA2 (0.54) | CA2CA1CA4CA6CA9 | |
| Methane SCHEMBL11237258 | 0.72 | CA2 (0.54) | CA2CA1CA4CA6CA9 |
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-109678810-A | 1, 2-oxygen nitrogen heterocyclic butane compound and preparation method and application thereof | 南京工业大学 | 2019-04-26 | — | — | CN | disclosed |