Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | AGXT | P21549 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 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 | |
|---|---|---|---|---|
| SCHEMBL30716088 | 0.76 | TP53 (0.46) | CASRPPARDPPARAHPGDNPSR1 | |
| SCHEMBL30079914 | 0.75 | DAO (0.49) | MAOBAPPPPARDPPARAMAOA | |
| SCHEMBL28511124 | 0.75 | DAO (0.49) | MAOBAPPPPARDPPARAMAOA | |
| SCHEMBL27962430 | 0.75 | NPSR1 (0.68) | CASRMAOBAGXTKDM4ENPC1 | |
| SCHEMBL13247934 | 0.75 | NR1H4 (0.63) | MAOBMAOAKDM4ENPC1HPGD | |
| SCHEMBL28874291 | 0.75 | GSK3B (0.48) | MAOBNPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL3992142 | 0.74 | KIF11 (0.54) | MAOBRAB9A | |
| SCHEMBL6153761 | 0.74 | MAOB (0.56) | MAOBAPPMAOANPC1RAB9A | |
| Biphenyl SCHEMBL27848937 | 0.73 | KIF11 (0.65) | MAOBKDM4ENPC1HPGDRAB9A | |
| SCHEMBL6153764 | 0.73 | MAOB (0.55) | MAOBAPPMAOANPC1RAB9A |
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 |