Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20512445 | 0.72 | GRIN2D (0.51) | OPRL1ADRA1DADRA1AADRA1BOPRM1 | |
| SCHEMBL8404048 | 0.72 | OPRL1 (0.35) | OPRL1LMNATSHRTP53 | |
| SCHEMBL23343753 | 0.72 | OPRL1 (0.65) | OPRL1ADRA1DADRA1AADRA1BOPRM1 | |
| SCHEMBL10767432 | 0.71 | KCNH2 (0.40) | KCNH2LMNATYRTSHRTP53 | |
| SCHEMBL12585902 | 0.69 | AKT2 (0.48) | KCNH2TSHRTP53SIGMAR1ADRA2A | |
| SCHEMBL21350005 | 0.69 | SIGMAR1 (0.41) | KCNH2LMNATYRTSHRTP53 | |
| SCHEMBL113722 | 0.69 | EPHX2 (0.61) | KCNH2LMNATYRTSHRTP53 | |
| Hydrochloric Acid SCHEMBL1001169 | 0.68 | AKT2 (0.47) | KCNH2SIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL18253208 | 0.68 | MAPT (0.51) | OPRL1LMNATYRTSHROPRM1 | |
| SCHEMBL22332062 | 0.68 | SIGMAR1 (0.40) | KCNH2LMNATYRTSHRTP53 |
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-115322100-A | Delta, epsilon-alkenyl ketone compound and preparation method and application thereof | 南京工业大学 | 2022-11-11 | — | — | CN | claimed |
| CN-115322100-A | Delta, epsilon-alkenyl ketone compound and preparation method and application thereof | 南京工业大学 | 2022-11-11 | — | — | CN | disclosed |