Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA7 | P43166 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 3/20 | 0.39 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14798684 | 0.80 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21775704 | 0.73 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27968758 | 0.71 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27881584 | 0.67 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27655420 | 0.66 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| Methyl 2,5-Dihydroxybenzoate SCHEMBL29457577 | 0.65 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Methyl 2,5-Dihydroxybenzoate SCHEMBL38890 | 0.65 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14798683 | 0.65 | EGFR (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27135271 | 0.65 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL646876 | 0.65 | CA12 (0.65) | CA12CA1CA2CA7CA9 |
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-110511173-B | Indole alkyl piperazine benzamide compound and application thereof | 复旦大学 | 2023-06-23 | — | — | CN | disclosed |