Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | DBH | P09172 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL1244152 | 0.87 | ALDH1A1 (0.55) | ALDH1A1HTTSMN1; SMN2MAPTCNR2 | |
| SCHEMBL9400665 | 0.85 | VEGFA (0.56) | ALDH1A1HTTSMN1; SMN2MAPTTHRB | |
| SCHEMBL28469317 | 0.84 | MAPT (0.55) | ALDH1A1SMN1; SMN2MAPTTHRBCNR2 | |
| SCHEMBL28477450 | 0.84 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2TRIM24TRIM33 | |
| SCHEMBL17894535 | 0.83 | ALDH1A1 (0.55) | ALDH1A1HTTSMN1; SMN2CA12CA1 | |
| SCHEMBL18002172 | 0.82 | HDAC8 (0.54) | ALDH1A1HTTSMN1; SMN2CNR2CNR1 | |
| SCHEMBL1609235 | 0.80 | ALDH1A1 (0.60) | ALDH1A1MAPTLMNACYP11B1CYP11B2 | |
| SCHEMBL6057467 | 0.80 | DRD2 (0.54) | ALDH1A1SMN1; SMN2DRD2DRD4DRD3 | |
| SCHEMBL28471906 | 0.80 | HDAC3 (0.50) | ALDH1A1SMN1; SMN2TRIM24TRIM33TP53 | |
| SCHEMBL28469213 | 0.79 | EPHX2 (0.48) | ALDH1A1MAPT |
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-108358923-B | Sophoridine pyrrole and indole derivatives, and preparation method and application thereof | 广西大学 | 2020-11-03 | — | — | CN | claimed |
| CN-108047226-B | Matrine pyrrole and indole derivatives, and preparation method and application thereof | 广西大学 | 2020-11-03 | — | — | CN | claimed |