Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 12/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 12/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8420014 | 0.79 | AKR1B10 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8417755 | 0.78 | BACE1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8417756 | 0.78 | BACE1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8417664 | 0.76 | ALDH1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30671346 | 0.69 | PDCD1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28368822 | 0.68 | CA1 (0.51) | CA1CA2PDCD1CD274MAPT | |
| SCHEMBL28996735 | 0.68 | AKR1B10 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20545941 | 0.68 | CA1 (0.51) | CA1CA2PDCD1CD274MAPT | |
| SCHEMBL20537369 | 0.67 | BACE1 (0.42) | PDCD1CD274BACE1ALDH1A1KDM4E | |
| SCHEMBL16581454 | 0.66 | ABL1 (0.52) | PDCD1CD274ALDH1A1MAPTMEN1 |
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-1121718-A | Heterocyclic derivatives | ZENECA LTD (GB) | 1996-05-01 | — | — | CN | disclosed |