Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL758154 | 0.98 | CES1 (0.56) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL11850419 | 0.87 | CES1 (0.47) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL25930136 | 0.83 | CES1 (0.56) | CES1SRCTSHRCES2ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL11500168 | 0.81 | CES1 (0.54) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL1445897 | 0.81 | CES1 (0.54) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL4618681 | 0.80 | CES1 (0.58) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL21109870 | 0.80 | CES1 (0.58) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL226691 | 0.80 | CES1 (0.58) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL1553905 | 0.80 | PARP10 (0.56) | ALDH1A1POLBMAPTL3MBTL1 | |
| SCHEMBL1553692 | 0.80 | HPGD (0.61) | CES1ALDH1A1TDP1POLBMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108658906-A | A kind of synthetic method of furane derivative radical derivative | 沅江华龙催化科技有限公司 | 2018-10-16 | — | — | CN | disclosed |
| CN-108503612-A | A kind of method of phenylpropyl alcohol ketone class compound and dimethyl sulfoxide (DMSO) structure furane derivative derivative | 沅江华龙催化科技有限公司 | 2018-09-07 | — | — | CN | disclosed |
| CN-108358877-A | A kind of furyl neighbour derovatives and preparation method thereof | 沅江华龙催化科技有限公司 | 2018-08-03 | — | — | CN | disclosed |