Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL4342404 | 0.89 | POLB (0.37) | TP53MAPTTSHRALDH1A1GLA | |
| SCHEMBL8438393 | 0.87 | SIGMAR1 (0.40) | TP53MAPTTSHRALDH1A1GLA | |
| SCHEMBL9352799 | 0.86 | TAAR1 (0.38) | TP53SMN1; SMN2FFAR1GPR84TAAR1 | |
| SCHEMBL10879656 | 0.85 | CSNK1E (0.40) | TP53MAPTALDH1A1SIGMAR1KCNH2 | |
| SCHEMBL27152602 | 0.82 | SLC6A2 (0.40) | TP53TSHRALDH1A1GLASMN1; SMN2 | |
| SCHEMBL5224483 | 0.81 | AOC3 (0.40) | TP53MAPTTSHRALDH1A1GLA | |
| SCHEMBL8436030 | 0.80 | NPC1 (0.44) | SIGMAR1KCNH2 | |
| SCHEMBL11238045 | 0.79 | AOC3 (0.41) | TP53MAPTTSHRALDH1A1GLA | |
| SCHEMBL2398343 | 0.79 | TAAR1 (0.47) | TP53MAPTTSHRALDH1A1GLA | |
| SCHEMBL10939839 | 0.79 | TSHR (0.43) | TP53MAPTTSHRALDH1A1GLA |
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-109912467-A | A kind of synthetic method of 2- aryl phenylethylamine derivative | 南昌航空大学 | 2019-06-21 | — | — | CN | disclosed |