Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | MKNK1 | Q9BUB5 | 7/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 7/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30516607 | 1.00 | CYP2E1 (0.57) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL3986274 | 0.94 | MKNK1 (0.57) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL3983330 | 0.93 | KMO (0.51) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL370074 | 0.86 | CYP2E1 (0.55) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30516614 | 0.86 | CYP2E1 (0.55) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL23930645 | 0.84 | CYP2A6 (0.54) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL368446 | 0.84 | CYP2C9 (0.54) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL3985673 | 0.83 | RAB9A (0.64) | CYP2C9CYP2C19KMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL4277897 | 0.83 | TP53 (0.45) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL2112340 | 0.81 | RAB9A (0.74) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119568-B1 | 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE | JANSSEN PHARMACEUTICA NV (BE) | 2004-02-18 | — | — | EP | claimed |