Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | OGG1 | O15527 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17444740 | 0.82 | TDP1 (0.72) | TDP1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2941510 | 0.82 | TDP1 (1.00) | TDP1LMNAALDH1A1AKR1C3 | |
| SCHEMBL9019322 | 0.82 | TDP1 (1.00) | TDP1LMNAALDH1A1AKR1C3 | |
| SCHEMBL113170 | 0.82 | TDP1 (1.00) | TDP1LMNAALDH1A1AKR1C3 | |
| SCHEMBL113171 | 0.82 | TDP1 (1.00) | TDP1LMNAALDH1A1AKR1C3 | |
| SCHEMBL3398189 | 0.82 | TDP1 (1.00) | TDP1LMNAALDH1A1AKR1C3 | |
| SCHEMBL10964293 | 0.82 | TDP1 (1.00) | TDP1LMNAALDH1A1AKR1C3 | |
| SCHEMBL12469222 | 0.81 | LMNA (1.00) | TDP1LMNAALDH1A1AKR1C3 | |
| SCHEMBL147065 | 0.81 | LMNA (1.00) | TDP1LMNAALDH1A1AKR1C3 | |
| SCHEMBL901344 | 0.81 | LMNA (1.00) | TDP1LMNAALDH1A1AKR1C3 |
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-115974707-A | Organic micromolecule modified based on green natural product, preparation method thereof and application of organic micromolecule in metal cleaning agent viscosity detection | 江西广源新材料有限公司 | 2023-04-18 | — | — | CN | disclosed |