Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27771235 | 0.79 | TSHR (0.62) | TSHRTP53TDP1CYP3A4CYP2C9 | |
| Triethyl Phosphate SCHEMBL10358522 | 0.78 | TSHR (0.77) | TSHRTP53TDP1CYP3A4CYP2C9 | |
| SCHEMBL28065638 | 0.77 | TSHR (0.59) | TSHRTP53TDP1CYP3A4PPARD | |
| Triethyl Phosphate SCHEMBL21887 | 0.77 | TSHR (1.00) | TSHRTP53TDP1CYP3A4PPARD | |
| Triethyl Phosphate SCHEMBL28023664 | 0.77 | TSHR (1.00) | TSHRTP53TDP1CYP3A4PPARD | |
| Triethyl Phosphate SCHEMBL1332591 | 0.77 | TSHR (1.00) | TSHRTP53TDP1CYP3A4PPARD | |
| Triethyl Phosphate SCHEMBL27822049 | 0.77 | TSHR (1.00) | TSHRTP53TDP1CYP3A4PPARD | |
| SCHEMBL8683146 | 0.76 | TSHR (0.56) | TSHRTP53TDP1CYP3A4PPARD | |
| SCHEMBL10012851 | 0.76 | TSHR (0.56) | TSHRTP53TDP1CYP3A4CYP2C9 | |
| Triethyl Phosphate SCHEMBL38651170 | 0.75 | TSHR (0.72) | TSHRTP53TDP1CYP3A4CYP2C9 |
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-110062757-B | Factor XIa inhibitors and uses thereof | 广东东阳光药业有限公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-110062757-A | Plasma thromboplastin antecedent a inhibitor and application thereof | 广东东阳光药业有限公司 | 2019-07-26 | — | — | CN | disclosed |