Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 9/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28562603 | 0.98 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL28562411 | 0.93 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL28685231 | 0.89 | TSHR (0.67) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL11398066 | 0.87 | TSHR (0.69) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylic Acid Ethyl Ester SCHEMBL7095062 | 0.83 | TSHR (0.63) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylic Acid Ethyl Ester SCHEMBL3886301 | 0.83 | TSHR (0.47) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL28678582 | 0.81 | TSHR (0.63) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL28796263 | 0.79 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylic Acid SCHEMBL29289999 | 0.79 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL194857 | 0.79 | TSHR (0.52) | TSHRHPGDALDH1A1ATMHCAR2 |
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-109320658-B | Itaconate bio-based heat-resistant oil elastomer and preparation method thereof | 湖北大学 | 2021-05-25 | — | — | CN | disclosed |