Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.40 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 5/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12217552 | 0.74 | DAO (0.40) | KDM4EALDH1A1BRD4DAOMEN1 | |
| SCHEMBL20670337 | 0.72 | DAO (0.39) | KDM4EBRD4DAOPKM | |
| SCHEMBL22501787 | 0.71 | L3MBTL1 (0.45) | KDM4ECYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14466317 | 0.71 | DAO (0.38) | KDM4EBRD4DAO | |
| SCHEMBL18933659 | 0.71 | DAO (0.45) | ALDH1A1BRD4DAO | |
| SCHEMBL585949 | 0.71 | NR1H4 (0.58) | ALDH1A1HPGDCYP2C19CYP1A2CYP2D6 | |
| SCHEMBL24666071 | 0.70 | DAO (0.38) | KDM4EBRD4DAO | |
| SCHEMBL18171803 | 0.69 | DAO (0.38) | KDM4EHPGDHSD17B10ERCC1ERCC4 | |
| SCHEMBL13616964 | 0.69 | TTK (0.47) | ALDH1A1BRD4CYP1A2CYP2D6TSHR | |
| SCHEMBL24664734 | 0.69 | DAO (0.39) | BRD4DAOMEN1KMT2ASMN1; SMN2 |
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-2704712-A1 | ISOXAZOLINES AS THERAPEUTIC AGENTS | AbbVie Inc. (US) | 2014-03-12 | — | — | EP | disclosed |
| WO-2012151158-A1 | ISOXAZOLINES AS THERAPEUTIC AGENTS | ABBOTT LABORATORIES (US) | 2012-11-08 | — | — | WO | disclosed |