Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | C1R | P00736 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28352544 | 0.74 | ALDH1A1 (0.46) | ADORA2AALDH1A1KDM4ETP53HPGD | |
| SCHEMBL28349566 | 0.74 | ALDH1A1 (0.43) | ADORA2ANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28352766 | 0.71 | ERBB2 (0.40) | IDO1MEN1KMT2ANOTUM | |
| SCHEMBL31001160 | 0.70 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL28348874 | 0.69 | KMT2A (0.47) | IDO1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28772091 | 0.66 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL397005 | 0.66 | IDO1 (0.46) | ADORA2AHTR7IDO1MBNL1SMN1; SMN2 | |
| SCHEMBL8655645 | 0.65 | MEN1 (0.56) | ADORA2ANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6691319 | 0.65 | ALDH1A1 (0.55) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL29801223 | 0.65 | ALDH1A1 (0.42) | NPC1SMN1; SMN2ALDH1A1KDM4ETP53 |
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-110590760-B | 2, 1-benzisoxazole derivative and synthetic method and application thereof | 武汉工程大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-110590760-A | 2, 1-benzisoxazole derivative and synthetic method and application thereof | 武汉工程大学 | 2019-12-20 | — | — | CN | disclosed |