Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27787310 | 0.76 | MEN1 (0.38) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL371826 | 0.73 | RAB9A (0.53) | ALDH1A1MAPTKDM4EGAAMEN1 | |
| SCHEMBL9393014 | 0.73 | CYP1A2 (0.55) | ALDH1A1MAPTGAAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27441126 | 0.72 | RAB9A (0.51) | ALDH1A1MAPTKDM4EGAAMEN1 | |
| SCHEMBL31067266 | 0.69 | BACE1 (0.52) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL28222037 | 0.69 | VCAM1 (0.46) | ALDH1A1MAPTMEN1KMT2AHTR3E | |
| SCHEMBL295035 | 0.69 | CYP1A2 (0.54) | KDM4ERAB9ACYP1A2 | |
| SCHEMBL28347678 | 0.68 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4EGAAMEN1 | |
| SCHEMBL25196663 | 0.68 | KDM4E (0.41) | ALDH1A1MAPTKDM4EGAAMEN1 | |
| SCHEMBL30492597 | 0.68 | KDM4E (0.41) | ALDH1A1MAPTKDM4EGAAMEN1 |
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-110563713-A | 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine | 王兴理 | 2019-12-13 | — | — | CN | claimed |
| CN-110563713-A | 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine | 王兴理 | 2019-12-13 | — | — | CN | disclosed |