Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13838043 | 0.79 | TSHR (0.47) | TSHRMIFALDH1A1MAPTHPGD | |
| SCHEMBL27718896 | 0.75 | CYP4F2 (0.44) | ALDH1A1MAPTHPGDLMNAHSD17B10 | |
| SCHEMBL27746366 | 0.69 | NLRP3 (0.43) | ALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL1057171 | 0.68 | TSHR (0.43) | TSHRALDH1A1MAPTHPGDLMNA | |
| SCHEMBL30987226 | 0.68 | HPGD (0.40) | TSHRALDH1A1HPGDLMNAKMT2A | |
| SCHEMBL14262606 | 0.67 | ALDH1A1 (0.44) | TSHRALDH1A1MAPTHPGDHTT | |
| SCHEMBL22921868 | 0.66 | TSHR (0.58) | TSHRALDH1A1MAPTLMNAHTT | |
| SCHEMBL17099459 | 0.66 | TSHR (0.42) | TSHRMIFALDH1A1MAPTHPGD | |
| SCHEMBL6515479 | 0.65 | TSHR (0.43) | TSHRALDH1A1MAPTHPGDLMNA | |
| Water SCHEMBL9652091 | 0.64 | TSHR (0.88) | TSHRALDH1A1MAPTLMNAHTT |
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-107501120-B | A kind of preparation method of 3- aminobutyryl amine compound | 浙江工业大学 | 2019-10-18 | — | — | CN | disclosed |