Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29878692 | 1.00 | RAB9A (0.47) | RAB9ANPC1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL29878660 | 0.88 | L3MBTL1 (0.54) | RAB9ANPC1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL28874293 | 0.88 | L3MBTL1 (0.54) | RAB9ANPC1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL29878463 | 0.85 | NPC1 (0.46) | RAB9ANPC1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL28874276 | 0.85 | NPC1 (0.46) | RAB9ANPC1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL14160771 | 0.85 | NPC1 (0.43) | RAB9ANPC1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL10667529 | 0.83 | L3MBTL1 (0.47) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL29878683 | 0.83 | L3MBTL1 (0.47) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL2538594 | 0.81 | KDM4E (0.59) | RAB9ANPC1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL28874433 | 0.81 | VSIR (0.49) | GPR119CYP3A4MAP4K4NOTUMMAOB |
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 |