Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | FBP1 | P09467 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8211036 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP2D6MAPTGAAMAPK1 | |
| SCHEMBL2069926 | 0.83 | PARP1 (0.40) | ALDH1A1MAPTMAPK1MEN1KMT2A | |
| SCHEMBL31125240 | 0.80 | ATM (0.46) | ALDH1A1MAPTMAPK1MEN1KMT2A | |
| SCHEMBL16694332 | 0.80 | GPR35 (0.45) | ALDH1A1MAPTMAPK1KDM4EMEN1 | |
| SCHEMBL29696199 | 0.77 | MAPT (0.44) | ALDH1A1CYP2D6MAPTGAAMAPK1 | |
| SCHEMBL3257088 | 0.77 | MAPT (0.44) | ALDH1A1CYP2D6MAPTGAAMAPK1 | |
| SCHEMBL7766740 | 0.75 | MAPT (0.44) | ALDH1A1MAPTGAAMAPK1KDM4E | |
| SCHEMBL30585356 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP2D6MAPTGAAMAPK1 | |
| SCHEMBL6320 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP2D6MAPTGAAMAPK1 | |
| SCHEMBL2004503 | 0.74 | MAPT (0.38) | ALDH1A1MAPTMAPK1MEN1KMT2A |
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-119306737-A | Benzo heterocyclic compound, pharmaceutically acceptable salt or stereoisomer thereof, and preparation method and application thereof | 江苏集萃分子工程研究院有限公司 | 2025-01-14 | — | — | CN | disclosed |