Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAT2A | P31153 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28462469 | 0.85 | MAT2A (0.41) | CYP17A1CYP1A2SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL29134588 | 0.82 | KDM4E (0.41) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL28487163 | 0.82 | VCP (0.40) | CYP1A2KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL4865308 | 0.79 | SMN1; SMN2 (0.43) | CYP17A1CYP1A2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29387435 | 0.79 | SMN1; SMN2 (0.43) | CYP17A1CYP1A2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL19309749 | 0.78 | ALKBH5 (0.51) | CYP17A1CYP1A2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28222792 | 0.75 | MAT2A (0.40) | CYP17A1CYP1A2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29134580 | 0.75 | KDM4E (0.42) | SMN1; SMN2KDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL30996500 | 0.74 | POLB (0.48) | SMN1; SMN2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL730611 | 0.74 | POLB (0.48) | SMN1; SMN2KDM4EALDH1A1MAPTHPGD |
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-117343044-A | Synthesis method of 2-methyl-1- (pyridine-2-yl) indole compound | 太原理工大学 | 2024-01-05 | — | — | CN | disclosed |