Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Triethyl Phosphate SCHEMBL28108275 | 0.80 | TSHR (0.62) | TSHRCYP3A4CYP2C9CYP2C19TP53 | |
| Triethyl Phosphate SCHEMBL22685846 | 0.78 | TSHR (0.59) | TSHRCYP3A4CYP2C9CYP2C19TP53 | |
| SCHEMBL27771235 | 0.76 | TSHR (0.62) | TSHRCYP3A4CYP2C9CYP2C19TP53 | |
| SCHEMBL9558848 | 0.76 | TPI1 (0.46) | — | |
| SCHEMBL11296124 | 0.76 | — | — | |
| Triethyl Phosphate SCHEMBL10358522 | 0.74 | TSHR (0.77) | TSHRCYP3A4CYP2C9CYP2C19TP53 | |
| SCHEMBL28065638 | 0.74 | TSHR (0.59) | TSHRCYP3A4TP53TDP1PPARD | |
| SCHEMBL28308540 | 0.74 | TSHR (0.59) | TSHRCYP3A4CYP2C9CYP2C19TP53 | |
| Triethyl Phosphate SCHEMBL1332591 | 0.74 | TSHR (1.00) | TSHRCYP3A4TP53TDP1PPARD | |
| Triethyl Phosphate SCHEMBL28023664 | 0.74 | TSHR (1.00) | TSHRCYP3A4TP53TDP1PPARD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104693087-A | 24, 28-ene-1alpah-hydroxyl vitamin D derivatives and preparation method thereof | UNIV NANJING SCIENCE & TECH | 2015-06-10 | — | — | CN | claimed |
| CN-104693087-A | 24, 28-ene-1alpah-hydroxyl vitamin D derivatives and preparation method thereof | UNIV NANJING SCIENCE & TECH | 2015-06-10 | — | — | CN | disclosed |