Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 9/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17829679 | 0.86 | ALDH1A1 (0.57) | KCNA3ALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL28522604 | 0.86 | KCNA3 (0.47) | KCNA3ALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL28735622 | 0.83 | ALDH1A1 (0.62) | ALDH1A1MAPTHTTNPSR1MEN1 | |
| SCHEMBL28478660 | 0.78 | ALDH1A1 (0.57) | ALDH1A1MAPTHTTNPSR1ALOX12 | |
| SCHEMBL25322499 | 0.77 | PTGS2 (0.54) | ALDH1A1MAPTHTTNPSR1ALOX12 | |
| SCHEMBL16587064 | 0.76 | ENPP2 (0.53) | ALDH1A1MAPTHTTNPSR1ALOX12 | |
| SCHEMBL16587063 | 0.76 | ENPP2 (0.53) | ALDH1A1MAPTHTTNPSR1ALOX12 | |
| SCHEMBL28238248 | 0.76 | ALDH1A1 (0.49) | ALDH1A1MAPTHTTNPSR1ALOX12 | |
| SCHEMBL17829696 | 0.74 | ALDH1A1 (0.60) | ALDH1A1MAPTHTTNPSR1ALOX12 | |
| SCHEMBL3105145 | 0.74 | SERPINE1 (0.59) | ALDH1A1MAPTHTTNPSR1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023137771-A1 | METHOD FOR SYNTHESIZING α-ALKYL SUBSTITUTED INDOLE-3-CARBOXALDEHYDE COMPOUND | 苏州大学 | 2023-07-27 | — | — | WO | disclosed |