Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | RHOA | P61586 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6282689 | 0.91 | CYP3A4 (0.82) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL8238432 | 0.87 | CYP3A4 (0.77) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL8587092 | 0.84 | CYP3A4 (0.72) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL5229213 | 0.84 | CYP3A4 (0.72) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL3950053 | 0.82 | TSHR (0.69) | CYP3A4ALDH1A1HSD17B10TSHRMAPT | |
| Ethane SCHEMBL28085459 | 0.82 | CYP3A4 (0.92) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL22231626 | 0.82 | CYP3A4 (0.68) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL11315296 | 0.82 | CYP3A4 (0.73) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL31443218 | 0.82 | CYP3A4 (0.68) | CYP3A4ALDH1A1HSD17B10TSHRMAPT | |
| SCHEMBL16371573 | 0.82 | CYP3A4 (1.00) | CYP3A4ALDH1A1HSD17B10TSHRRHOA |
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-105330541-A | Synthesis method of 4'-halogenated methylbiphenyl-2-formic aid alkyl ester | CHANGZHOU BOSHI WEIYE BIOTECHNOLOGY CO LTD | 2016-02-17 | — | — | CN | disclosed |