Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | DBH | P09172 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4600343 | 0.88 | DBH (0.37) | ALDH1A1LMNATDP1SMN1; SMN2POLB | |
| SCHEMBL29136224 | 0.83 | IDO1 (0.46) | ALDH1A1LMNATDP1SMN1; SMN2POLB | |
| SCHEMBL3849945 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2POLBHTT | |
| SCHEMBL694560 | 0.82 | TNF (0.44) | ALDH1A1LMNATDP1SMN1; SMN2POLB | |
| SCHEMBL2117187 | 0.80 | CD74 (0.40) | ALDH1A1SMN1; SMN2HTTL3MBTL1GAA | |
| SCHEMBL29136190 | 0.78 | LPO (0.54) | ALDH1A1LMNAPOLBIDO1MEN1 | |
| SCHEMBL5462459 | 0.76 | DBH (0.42) | ALDH1A1LMNATDP1POLBDBH | |
| SCHEMBL5137147 | 0.75 | KDM4E (0.39) | ALDH1A1LMNASMN1; SMN2IDO1HTT | |
| SCHEMBL17956236 | 0.74 | CNR1 (0.40) | ALDH1A1 | |
| SCHEMBL27905750 | 0.74 | HTT (0.49) | ALDH1A1LMNATDP1SMN1; SMN2IDO1 |
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-117003739-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 安徽中医药大学 | 2023-11-07 | — | — | CN | disclosed |