Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MASP2 | O00187 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28219261 | 0.83 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL31601676 | 0.83 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8162770 | 0.83 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8154547 | 0.73 | TP53 (0.43) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL7857823 | 0.73 | ALDH1A1 (0.58) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL9171113 | 0.71 | KMT2A (0.51) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6359968 | 0.70 | LTA4H (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL29795482 | 0.70 | LTA4H (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| Boric Acid SCHEMBL28397024 | 0.70 | LTA4H (0.43) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL9629621 | 0.70 | ALDH1A1 (0.54) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E |
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-115010701-A | Preparation method of nitrogen-containing heterocyclic derivative | 浙江百可半导体材料有限公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-114933586-A | Nitrogen-containing heterocyclic derivative and application thereof | 浙江百可半导体材料有限公司 | 2022-08-23 | — | — | CN | disclosed |