Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL15777237 | 1.00 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2CYP2A6LMNA | |
| SCHEMBL192940 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KDM4ESMN1; SMN2CYP2A6LMNA | |
| SCHEMBL1956908 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2CYP2A6CYP1A2 | |
| SCHEMBL30480716 | 0.74 | CRHBP (0.47) | ALDH1A1KDM4ESMN1; SMN2KMT2ACRHBP | |
| SCHEMBL29935616 | 0.74 | CYP1A2 (0.47) | ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL616961 | 0.74 | CRHBP (0.47) | ALDH1A1KDM4ESMN1; SMN2KMT2ACRHBP | |
| SCHEMBL8229007 | 0.73 | CYP2A6 (0.45) | ALDH1A1KDM4ESMN1; SMN2CYP2A6LMNA | |
| SCHEMBL885410 | 0.72 | SIRT3 (0.49) | ALDH1A1KDM4ESMN1; SMN2CYP2A6LMNA | |
| SCHEMBL1957646 | 0.72 | ALDH1A1 (0.51) | ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1 | |
| SCHEMBL2513072 | 0.71 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2CYP2A6LMNA |
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-108341799-B | Novel indole derivatives for the treatment of cancer, viral infections and lung diseases | 生物控制术公司 | 2022-01-25 | — | — | CN | disclosed |