Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzo[D]Isoxazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzo[D]Isoxazole SCHEMBL31434439 | 0.94 | RAB9A (0.39) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| Benzo[D]Isoxazole SCHEMBL3434242 | 0.92 | NPC1 (0.41) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| Benzo[D]Isoxazole SCHEMBL27781793 | 0.92 | NPC1 (0.40) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| Benzo[D]Isoxazole SCHEMBL28482344 | 0.91 | TDO2 (0.39) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| Benzo[D]Isoxazole SCHEMBL1355530 | 0.89 | — | — | |
| Benzo[D]Isoxazole SCHEMBL8438 | 0.89 | — | — | |
| Benzo[D]Isoxazole SCHEMBL27463312 | 0.89 | RAB9A (0.41) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| Benzo[D]Isoxazole SCHEMBL28746060 | 0.89 | RAB9A (0.41) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| Benzo[D]Isoxazole SCHEMBL6991292 | 0.89 | RAB9A (0.41) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| Benzo[D]Isoxazole SCHEMBL27463311 | 0.89 | RAB9A (0.41) | RAB9ANPC1SMN1; SMN2TP53PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0119294-B1 | BENZISOXAZOLE CARBOXYLIC ACIDS | ABBOTT LABORATORIES (US) | 1987-09-16 | — | — | EP | disclosed |
| EP-0119294-A1 | Benzisoxazole carboxylic acids | ABBOTT LABORATORIES (US) | 1984-09-26 | — | — | EP | disclosed |