Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | DGKA | P23743 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25761572 | 0.88 | TSHR (0.45) | CYP1A2GAACYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL27351978 | 0.87 | CYP4F2 (0.50) | GAACYP4F2CYP4A11ALDH1A1ALOX15 | |
| SCHEMBL168509 | 0.85 | CYP1A2 (0.44) | CYP1A2GAACYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL6902942 | 0.84 | CYP1A2 (0.48) | CYP1A2GAACYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL31190467 | 0.84 | CES2 (0.58) | CYP1A2CYP4F2CYP4A11HSD17B10HTT | |
| SCHEMBL8864348 | 0.84 | CES2 (0.58) | CYP1A2CYP4F2CYP4A11HSD17B10HTT | |
| SCHEMBL9495469 | 0.84 | CES2 (0.58) | CYP1A2CYP4F2CYP4A11HSD17B10HTT | |
| SCHEMBL8863676 | 0.84 | CES2 (0.58) | CYP1A2CYP4F2CYP4A11HSD17B10HTT | |
| SCHEMBL20654846 | 0.84 | CES2 (0.58) | CYP1A2CYP4F2CYP4A11HSD17B10HTT | |
| SCHEMBL20654753 | 0.84 | CES2 (0.58) | CYP1A2CYP4F2CYP4A11HSD17B10HTT |
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-108191647-B | Synthesis method of 2, 2-difluoro dicarboxylic acid dialkyl ester | 江苏尚莱特医药化工材料有限公司 | 2020-09-29 | — | — | CN | disclosed |