Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | XDH | P47989 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 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 | |
|---|---|---|---|---|
| SCHEMBL28599434 | 0.85 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2MAPTXDHMEN1 | |
| SCHEMBL28591593 | 0.82 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2MAPTXDHMEN1 | |
| SCHEMBL28606079 | 0.80 | XDH (0.50) | ALDH1A1SMN1; SMN2MAPTXDHMEN1 | |
| SCHEMBL28604078 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2XDHMEN1KMT2A | |
| SCHEMBL28597325 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2XDHMEN1KMT2A | |
| SCHEMBL29483670 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2XDHMEN1KMT2A | |
| SCHEMBL5326257 | 0.75 | XDH (0.49) | ALDH1A1SMN1; SMN2MAPTXDHKMT2A | |
| SCHEMBL28604068 | 0.74 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2XDHMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28591146 | 0.74 | MEN1 (0.53) | ALDH1A1SMN1; SMN2MAPTXDHMEN1 | |
| SCHEMBL28918207 | 0.74 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2MAPTXDHMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113173918-B | N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof | 沈阳药科大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-113173918-A | N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof | 沈阳药科大学 | 2021-07-27 | — | — | CN | disclosed |