Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4850106 | 0.87 | MAPK1 (0.40) | MAPK1CYP1A2CNR2NPC1TP53 | |
| SCHEMBL6231133 | 0.81 | MGAM (0.38) | CNR2NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL3922658 | 0.78 | PIM1 (0.41) | CNR2RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL5873635 | 0.77 | ALDH1A1 (0.61) | NPC1TP53RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL530121 | 0.77 | KMT2A (0.37) | CYP1A2CNR2NPC1TP53RAB9A | |
| SCHEMBL30208641 | 0.76 | MGAM (0.61) | CNR2RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL725183 | 0.76 | MGAM (0.61) | CNR2RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16880740 | 0.75 | HSD17B14 (0.51) | CYP1A2NPC1TP53CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL30615167 | 0.75 | MGAM (0.59) | CNR2RAB9ASMN1; SMN2ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL16793838 | 0.75 | MGAM (0.59) | CNR2RAB9ASMN1; SMN2ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-110563713-A | 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine | 王兴理 | 2019-12-13 | — | — | CN | claimed |