Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.46 |
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30761733 | 1.00 | CA2 (0.46) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL30761731 | 1.00 | CA2 (0.46) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL17664852 | 0.89 | CA2 (0.47) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL21046004 | 0.88 | CA2 (0.43) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL18551136 | 0.88 | CA2 (0.43) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL16935947 | 0.88 | CA2 (0.43) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL30696798 | 0.82 | CA2 (0.46) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL791306 | 0.82 | CA2 (0.56) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL5409379 | 0.81 | CA2 (0.43) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL30135349 | 0.81 | CA2 (0.56) | CA2CA1CA12CA9ALDH1A1 |
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-110627812-A | Heterocyclic compounds as TRK inhibitors | 北京诺诚健华医药科技有限公司 | 2019-12-31 | — | — | CN | disclosed |