Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28653710 | 0.75 | ADRA2A (0.47) | TSHRADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL8714919 | 0.74 | ESR1 (0.46) | ESR1TSHRADRB2ACHEGAA | |
| SCHEMBL840826 | 0.74 | ESR1 (0.46) | ESR1TSHRADRB2ACHEGAA | |
| SCHEMBL29654913 | 0.71 | TSHR (0.61) | ESR1TSHRACHEADRA2AADRA2B | |
| SCHEMBL5496564 | 0.71 | TSHR (0.61) | ESR1TSHRACHEADRA2AADRA2B | |
| SCHEMBL5357776 | 0.71 | TSHR (0.61) | ESR1TSHRACHEADRA2AADRA2B | |
| SCHEMBL793225 | 0.71 | TSHR (0.61) | ESR1TSHRACHEADRA2AADRA2B | |
| SCHEMBL19003107 | 0.71 | ESR1 (0.48) | ESR1TSHRADRB2ACHEGAA | |
| SCHEMBL231827 | 0.70 | ESR1 (0.52) | ESR1TSHRACHEGAAADRA2A | |
| SCHEMBL342736 | 0.70 | ESR1 (0.52) | ESR1TSHRACHEGAAADRA2A |
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-113717209-A | Synthesis method of alkyl silicon compound | 南通大学 | 2021-11-30 | — | — | CN | disclosed |