Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Itaconate SCHEMBL28562019 | 0.91 | TSHR (0.52) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL28685231 | 0.91 | TSHR (0.67) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL28562411 | 0.89 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL13079888 | 0.86 | TSHR (0.49) | TSHRHPGDALDH1A1ATMHCAR2 | |
| SCHEMBL6657500 | 0.86 | FAAH (0.45) | TSHRHPGDALDH1A1ATMNPSR1 | |
| SCHEMBL19304553 | 0.85 | TSHR (0.67) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL28562298 | 0.84 | ALDH1A1 (0.51) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylic Acid Methyl Ester SCHEMBL5528020 | 0.83 | TSHR (0.59) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL4352340 | 0.82 | TSHR (0.71) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL1514927 | 0.82 | TSHR (0.71) | TSHRHPGDALDH1A1CYP3A4ATM |
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-113912794-A | Itaconate bio-based elastomer with controllable sequence structure and adjustable cross-linking point distribution and preparation method thereof | 湖北大学 | 2022-01-11 | — | — | CN | disclosed |