Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 4/20 | 0.35 |
| ▸ | CES1 | P23141 | 4/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL28419375 | 0.87 | TSHR (0.35) | TSHR | |
| Hexane SCHEMBL28180405 | 0.78 | TSHR (0.60) | TSHRTHRBLMNACES2CES1 | |
| Hexane SCHEMBL28070939 | 0.78 | TSHR (0.60) | TSHRTHRBLMNACES2CES1 | |
| Hexane SCHEMBL10567935 | 0.75 | — | — | |
| Hexane SCHEMBL10390111 | 0.73 | NAAA (0.44) | TSHRTHRBLMNACES2CES1 | |
| Hexane SCHEMBL6756710 | 0.73 | TSHR (0.39) | TSHRTHRBLMNACES2CES1 | |
| Hexane SCHEMBL3357674 | 0.73 | TSHR (0.39) | TSHRTHRBLMNACES2CES1 | |
| Decane SCHEMBL15911069 | 0.72 | TSHR (0.67) | TSHRTHRBLMNACES2CES1 | |
| Hexadecane SCHEMBL28658092 | 0.72 | TSHR (0.67) | TSHRTHRBLMNACES2CES1 | |
| Heptane SCHEMBL20838487 | 0.72 | TSHR (0.67) | TSHRTHRBLMNACES2CES1 |
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-112844472-B | Preparation method and application of chiral imidazole urea catalyst | 深圳市宝安区新材料研究院 | 2023-05-23 | — | — | CN | claimed |
| CN-112844472-B | Preparation method and application of chiral imidazole urea catalyst | 深圳市宝安区新材料研究院 | 2023-05-23 | — | — | CN | disclosed |