Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | VHL | P40337 | 1/20 | 0.35 |
| ▸ | ELOC | Q15369 | 1/20 | 0.35 |
| ▸ | ELOB | Q15370 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6425240 | 0.85 | TDP1 (0.48) | TSHRLTA4HCA12CA1CA2 | |
| SCHEMBL8791282 | 0.84 | ESR1 (0.50) | CA2IDH1KEAP1ESR1ESR2 | |
| SCHEMBL8713096 | 0.83 | TSHR (0.40) | TSHRPRSS1PRSS2PRSS3IDH1 | |
| SCHEMBL79754 | 0.83 | CALM1 (0.50) | TSHRLTA4HCALM1IDH1 | |
| SCHEMBL41215 | 0.83 | — | — | |
| SCHEMBL28961703 | 0.82 | LTA4H (0.42) | LTA4HHDAC8CA2PPARA | |
| SCHEMBL27859557 | 0.81 | — | — | |
| SCHEMBL6353303 | 0.80 | IDO1 (0.37) | TSHR | |
| SCHEMBL17956849 | 0.80 | CYP3A4 (0.50) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL4390802 | 0.80 | APP (0.37) | CALM1 |
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-105121423-A | Novel 3- (4- (benzyloxy) phenyl) hex-4-ynoic acid derivative, method for preparing the same, and pharmaceutical composition for preventing and treating metabolic diseases comprising the same as an effective ingredient | HYUNDAI PHARM CO LTD | 2015-12-02 | — | — | CN | disclosed |