Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | GAA | P10253 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6783654 | 1.00 | ALDH1A1 (0.53) | ALDH1A1GAAMAPTKDM4ECYP3A4 | |
| SCHEMBL13891558 | 0.80 | ALDH1A1 (0.50) | ALDH1A1GAAMAPTKDM4ECYP3A4 | |
| SCHEMBL16904152 | 0.80 | MAOB (0.50) | ALDH1A1GAAMAPTKDM4ECYP3A4 | |
| SCHEMBL3860557 | 0.80 | ALDH1A1 (0.44) | ALDH1A1GAAMAPTKDM4ECYP3A4 | |
| SCHEMBL14925233 | 0.77 | ERN1 (0.51) | ALDH1A1GAAMAPTKDM4ECYP3A4 | |
| SCHEMBL6338464 | 0.76 | ALDH1A1 (0.46) | ALDH1A1GAAMAPTKDM4ECYP3A4 | |
| SCHEMBL450134 | 0.75 | CA12 (0.60) | ALDH1A1GAAMAPTKDM4ECYP3A4 | |
| SCHEMBL13799209 | 0.74 | ALDH1A1 (0.45) | ALDH1A1GAAMAPTKDM4ECYP3A4 | |
| SCHEMBL18721221 | 0.73 | MCL1 (0.48) | ALDH1A1GAAMAPTKDM4EHSD17B10 | |
| SCHEMBL15563509 | 0.72 | CA9 (0.49) | ALDH1A1GAAKDM4ECYP3A4HSD17B10 |
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-113735871-B | Preparation method and application of indole spiro dihydropyridine dicoumarol compound | 江苏大学 | 2023-04-11 | — | — | CN | disclosed |