Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28910294 | 0.90 | ALDH1A1 (0.35) | MEN1KMT2AIP6K1ALDH1A1USP2 | |
| SCHEMBL28910277 | 0.88 | CYP2A6 (0.39) | MEN1KMT2ANLRP3ALDH1A1CYP2A6 | |
| SCHEMBL28910300 | 0.88 | KIF11 (0.33) | KIF11CYP1A2 | |
| SCHEMBL28910292 | 0.87 | CA1 (0.38) | MEN1KMT2ATDP1KDM4EKIF11 | |
| SCHEMBL28910280 | 0.86 | ORAI1 (0.35) | MEN1KMT2ANLRP3ALDH1A1NPC1 | |
| SCHEMBL28910306 | 0.86 | ALDH1A1 (0.39) | ALDH1A1POLBKIF11L3MBTL1 | |
| SCHEMBL28910315 | 0.84 | ALDH1A1 (0.43) | MEN1KMT2AALDH1A1CYP2A6USP2 | |
| SCHEMBL28910310 | 0.84 | PIM1 (0.36) | MEN1KMT2AIP6K1KDM4EPOLB | |
| SCHEMBL979360 | 0.84 | KIF11 (0.35) | KIF11AKR1C3AKR1C2 | |
| SCHEMBL3121312 | 0.84 | RECQL (0.34) | RECQLALDH1A1TDP1KDM4EPOLB |
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-114394963-B | Isoxazoline compound, preparation method and application | 西北农林科技大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-114394963-A | Isoxazoline compound, preparation method and application | 西北农林科技大学 | 2022-04-26 | — | — | CN | disclosed |