Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Benzo[C]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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 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[C]Isoxazole SCHEMBL8468373 | 1.00 | KDM4E (0.47) | KDM4ELMNARAB9AALDH1A1HSD17B10 | |
| Benzo[C]Isoxazole SCHEMBL1833459 | 0.80 | RAB9A (0.43) | KDM4ELMNARAB9AALDH1A1HSD17B10 | |
| Benzo[C]Isoxazole SCHEMBL27845401 | 0.80 | NPC1 (0.43) | KDM4ERAB9AALDH1A1HSD17B10KMT2A | |
| Naphthalene SCHEMBL1879779 | 0.80 | NPC1 (0.43) | KDM4ERAB9AALDH1A1HSD17B10KMT2A | |
| Benzo[C]Isoxazole SCHEMBL23045175 | 0.79 | NPC1 (0.38) | RAB9AALDH1A1NPC1MAPT | |
| Biphenyl SCHEMBL3685922 | 0.79 | NPC1 (0.44) | KDM4ELMNARAB9AALDH1A1KMT2A | |
| Benzo[C]Isoxazole SCHEMBL28208572 | 0.78 | RAB9A (0.42) | KDM4ELMNARAB9AALDH1A1HSD17B10 | |
| Phenazine SCHEMBL28375190 | 0.76 | ALDH1A1 (0.56) | KDM4ELMNARAB9AALDH1A1HSD17B10 | |
| Benzo[C]Isoxazole SCHEMBL11231055 | 0.76 | RAB9A (0.41) | KDM4ELMNARAB9AALDH1A1HSD17B10 | |
| Naphthalene SCHEMBL2834571 | 0.73 | HCAR2 (0.56) | KDM4ELMNARAB9AALDH1A1KMT2A |
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-0646115-B1 | HETEROCYCLIC-CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 2003-01-22 | — | — | EP | disclosed |
| WO-1992017475-A1 | HETEROCYCLIC-CYCLIC AMINE DERIVATIVES | PFIZER INC. (US) | 1992-10-15 | — | — | WO | disclosed |