Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28127954 | 0.88 | DGAT1 (0.51) | LMNAMAPK8KDM4EALDH1A1HPGD | |
| SCHEMBL28128219 | 0.76 | MEN1 (0.43) | LMNAXBP1TSHRADRA1DGPR52 | |
| SCHEMBL7844303 | 0.75 | MAPK8 (0.40) | LMNAMAPK8ALDH1A1MAOBDGAT1 | |
| SCHEMBL28128277 | 0.74 | DGAT1 (0.46) | LMNAADRA1DMAPK8KDM4EALDH1A1 | |
| Hydrazine SCHEMBL27353112 | 0.73 | CES2 (0.39) | LMNATSHRCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28128171 | 0.73 | TSHR (0.43) | LMNAXBP1TSHRADRA1DGPR52 | |
| SCHEMBL2581821 | 0.72 | CES2 (0.48) | LMNAXBP1KDM4EALDH1A1CES2 | |
| SCHEMBL28127942 | 0.71 | TSHR (0.47) | LMNAXBP1TSHRADRA1DGPR52 | |
| SCHEMBL1990289 | 0.71 | CYP3A4 (0.50) | TSHRALDH1A1 | |
| SCHEMBL27895663 | 0.70 | RPS6KB1 (0.46) | LMNACYP2C19MAPK8KDM4EALDH1A1 |
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-106414430-A | Pharmacologically active quinazolinedione derivatives | 奥赖恩公司 | 2017-02-15 | — | — | CN | disclosed |