Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL573259 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL135289 | 0.86 | CASP6 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| Methylamine SCHEMBL11877019 | 0.85 | TSHR (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL7826598 | 0.85 | VCAM1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL13543308 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL16581035 | 0.83 | LMNA (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL573521 | 0.83 | VCAM1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL2876091 | 0.82 | LMNA (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL13283938 | 0.82 | LMNA (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL3146159 | 0.82 | CASP6 (0.60) | ALDH1A1LMNACASP6TPMTMEN1 |
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-118619900-A | Bumetanide impurity compound and preparation method and application thereof | 仁合益康集团有限公司 | 2024-09-10 | — | — | CN | disclosed |