Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.36 |
| ▸ | THRA | P10827 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16678758 | 0.85 | CA2 (0.48) | TDP1AKR1B1APEX1CA2CA4 | |
| SCHEMBL29599921 | 0.85 | CA2 (0.48) | TDP1AKR1B1APEX1CA2CA4 | |
| SCHEMBL29634564 | 0.78 | THRA (0.37) | TDP1AKR1B1CA2CA4ALOX15 | |
| SCHEMBL21869873 | 0.78 | CA2 (0.50) | TDP1AKR1B1APEX1CA2CA4 | |
| SCHEMBL16678555 | 0.74 | TDP1 (0.50) | TDP1AKR1B1APEX1CA2CA4 | |
| SCHEMBL29599785 | 0.74 | TDP1 (0.50) | TDP1AKR1B1APEX1CA2CA4 | |
| SCHEMBL2462593 | 0.73 | SOS1 (0.40) | AKR1B1ALOX15ALOX12THRATHRB | |
| SCHEMBL752753 | 0.72 | TDP1 (0.76) | TDP1AKR1B1APEX1CA2CA4 | |
| SCHEMBL14942245 | 0.71 | CA2 (0.55) | TDP1AKR1B1APEX1CA2CA4 | |
| SCHEMBL29599189 | 0.70 | APEX1 (0.38) | TDP1AKR1B1APEX1CA2CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116893235-A | Method and kit for determining polychlorinated biphenyl and multi-class brominated flame retardant residues in traditional Chinese medicine | 江苏省食品药品监督检验研究院(江苏省食品质量安全监控中心) | 2023-10-17 | — | — | CN | claimed |
| CN-116893235-A | Method and kit for determining polychlorinated biphenyl and multi-class brominated flame retardant residues in traditional Chinese medicine | 江苏省食品药品监督检验研究院(江苏省食品质量安全监控中心) | 2023-10-17 | — | — | CN | disclosed |