Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.53 |
| ▸ | TNFRSF1A | P19438 | 4/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.50 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL25196897 | 0.95 | BCHE (0.52) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL7197497 | 0.91 | BCHE (0.54) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL22806733 | 0.91 | BCHE (0.54) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL7197500 | 0.91 | BCHE (0.54) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL30266761 | 0.91 | BCHE (0.54) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL5084928 | 0.86 | CYP3A4 (0.49) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL7194858 | 0.86 | TNFRSF1A (0.59) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL7193630 | 0.86 | TNFRSF1A (0.59) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL28140741 | 0.85 | MAPT (0.52) | BCHEMAPTCYP3A4RAB9ALMNA | |
| SCHEMBL28280757 | 0.84 | CYP3A4 (0.45) | BCHEMAPTCYP3A4RAB9ALMNA |
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-105085218-A | Quinoid chalcone compound with methyl group at A ring, and preparation method and anti-inflammatory activity thereof | INST MATERIA MEDICA CAMS | 2015-11-25 | — | — | CN | disclosed |