Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9311224 | 0.80 | TSHR (0.52) | CES2CES1TSHRLMNAMAPK1 | |
| SCHEMBL9719608 | 0.80 | CES2 (0.42) | CES2CES1TSHRLMNAMAPK1 | |
| SCHEMBL9310344 | 0.74 | ELANE (0.48) | CES2CES1MAPK1L3MBTL1ELANE | |
| SCHEMBL11807023 | 0.73 | TSHR (0.47) | TSHRLMNAMAPK1HTTL3MBTL1 | |
| SCHEMBL28884009 | 0.71 | ESR1 (0.43) | CES2CES1TSHRLMNAMAPK1 | |
| SCHEMBL16486462 | 0.70 | CES2 (0.42) | CES2CES1TSHRLMNAMAPK1 | |
| SCHEMBL10478974 | 0.70 | CES2 (0.43) | CES2CES1TSHRLMNAMAPK1 | |
| SCHEMBL10873087 | 0.69 | TSHR (0.56) | CES2CES1TSHRLMNAMAPK1 | |
| SCHEMBL1603720 | 0.69 | TSHR (0.56) | CES2CES1TSHRLMNAMAPK1 | |
| SCHEMBL4019330 | 0.69 | TSHR (0.56) | CES2CES1TSHRLMNAMAPK1 |
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-112010881-B | Alkenyl boron compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2021-09-03 | — | — | CN | disclosed |
| CN-112010881-A | Alkenyl boron compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2020-12-01 | — | — | CN | disclosed |