Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28785854 | 0.78 | CRHBP (0.34) | CRHBPCRHR2ALDH1A1POLBMAPK1 | |
| SCHEMBL28909755 | 0.74 | NPC1 (0.38) | RAB9ANPC1ALDH1A1LMNAHPGD | |
| SCHEMBL322124 | 0.74 | MEN1 (0.33) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28874356 | 0.73 | POLB (0.36) | RAB9ANPC1CRHBPCRHR2ALDH1A1 | |
| SCHEMBL28874436 | 0.72 | NPC1 (0.37) | RAB9ANPC1ALDH1A1LMNAHPGD | |
| SCHEMBL28417861 | 0.71 | HDAC1 (0.37) | RAB9ANPC1CRHBPCRHR2ALDH1A1 | |
| SCHEMBL27792936 | 0.70 | ALDH1A1 (0.37) | RAB9ANPC1ALDH1A1LMNAHPGD | |
| SCHEMBL14246717 | 0.70 | GPR35 (0.53) | CRHBPCRHR2ALDH1A1HPGDPOLB | |
| SCHEMBL7029555 | 0.69 | SMN1; SMN2 (0.34) | SMN1; SMN2 | |
| SCHEMBL28284104 | 0.69 | VCAM1 (0.30) | — |
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 |