Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.61 |
| ▸ | RELA | Q04206 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.54 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.54 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.54 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.53 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.53 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9717482 | 0.92 | F3 (0.58) | CYP3A4KMT2AMEN1MAOBALDH1A1 | |
| SCHEMBL2455416 | 0.85 | F3 (0.51) | CYP3A4KMT2AMEN1MAOBALDH1A1 | |
| SCHEMBL28606283 | 0.85 | BCHE (0.58) | BCHECYP3A4NFKB1NFKB2RELA | |
| SCHEMBL1158302 | 0.84 | PAM (0.68) | BCHECYP3A4KMT2AMEN1TRPA1 | |
| SCHEMBL1158301 | 0.84 | PAM (0.68) | BCHECYP3A4KMT2AMEN1TRPA1 | |
| SCHEMBL2998851 | 0.82 | PAM (0.61) | BCHECYP3A4NFKB1NFKB2RELA | |
| SCHEMBL2998855 | 0.82 | PAM (0.61) | BCHECYP3A4NFKB1NFKB2RELA | |
| SCHEMBL8648429 | 0.80 | GSK3B (0.61) | CYP3A4RELATRPA1ALDH1A1MAPT | |
| Dibenzoylmethane SCHEMBL28215978 | 0.79 | THRB (0.71) | BCHECYP3A4NFKB1NFKB2RELA | |
| SCHEMBL12480336 | 0.79 | F3 (0.62) | CYP3A4ALDH1A1MAPTPTGER4PTGER3 |
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-113548936-A | Aroyldifluoromethyl olefin and preparation method thereof | 上海应用技术大学 | 2021-10-26 | — | — | CN | disclosed |