Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28874460 | 0.82 | CRHBP (0.35) | POLBMAPK1ALDH1A1LMNARAB9A | |
| SCHEMBL28874498 | 0.78 | ORAI1 (0.38) | POLBMAPK1ALDH1A1LMNARAB9A | |
| SCHEMBL28909755 | 0.74 | NPC1 (0.38) | ALDH1A1LMNARAB9ANPC1KMT2A | |
| SCHEMBL27864308 | 0.74 | ORAI1 (0.36) | MAPK1ALDH1A1LMNARAB9ANPC1 | |
| SCHEMBL28874397 | 0.73 | RAB9A (0.36) | POLBMAPK1ALDH1A1LMNARAB9A | |
| SCHEMBL27864311 | 0.72 | NPC1 (0.33) | RAB9ANPC1L3MBTL1ORAI1SMN1; SMN2 | |
| SCHEMBL28874281 | 0.72 | NPC1 (0.37) | ALDH1A1LMNARAB9ANPC1TDP1 | |
| SCHEMBL31070269 | 0.66 | SLC6A4 (0.36) | MAPK1ALDH1A1LMNARAB9ANPC1 | |
| SCHEMBL28785854 | 0.66 | CRHBP (0.34) | POLBMAPK1ALDH1A1CRHBPCRHR2 | |
| SCHEMBL6849511 | 0.65 | SLC6A4 (0.35) | POLBMAPK1ALDH1A1LMNARAB9A |
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-115124485-B | Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-12-15 | — | — | CN | disclosed |
| CN-115124485-A | Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof | 中国医学科学院药物研究所 | 2022-09-30 | — | — | CN | disclosed |