Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.56 |
| ▸ | CA1 | P00915 | 5/20 | 0.56 |
| ▸ | CA2 | P00918 | 5/20 | 0.56 |
| ▸ | CA9 | Q16790 | 5/20 | 0.56 |
| ▸ | BCHE | P06276 | 3/20 | 0.54 |
| ▸ | CNR2 | P34972 | 3/20 | 0.54 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3361899 | 0.92 | CA12 (0.64) | CA12CA1CA2CA9BCHE | |
| SCHEMBL20693094 | 0.89 | CA12 (0.55) | CA12CA1CA2CA9BCHE | |
| SCHEMBL17208794 | 0.88 | CA12 (0.65) | CA12CA1CA2CA9SUCNR1 | |
| SCHEMBL23418091 | 0.86 | KMT2A (0.49) | CA12CA1CA2CA9BCHE | |
| SCHEMBL12013588 | 0.86 | CA12 (0.44) | CA12CA1CA2CA9BCHE | |
| SCHEMBL24133633 | 0.86 | CA12 (0.55) | CA12CA1CA2CA9BCHE | |
| SCHEMBL31584155 | 0.86 | CA12 (0.60) | CA12CA1CA2CA9BCHE | |
| SCHEMBL15672736 | 0.86 | CA12 (0.60) | CA12CA1CA2CA9BCHE | |
| SCHEMBL7882884 | 0.86 | CA12 (0.60) | CA12CA1CA2CA9BCHE | |
| SCHEMBL12028722 | 0.85 | SMN1; SMN2 (0.50) | CA12CA1CA2CA9BCHE |
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-117024438-A | Esatitecan derivative and application thereof | 杭州爱科瑞思生物医药有限公司 | 2023-11-10 | — | — | CN | disclosed |