Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | CPN1 | P15169 | 1/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL1068393 | 1.00 | TSHR (0.50) | TSHRCSNK1EGRM2SPHK1NR1I2 | |
| SCHEMBL18557410 | 1.00 | TSHR (0.50) | TSHRCSNK1EGRM2SPHK1NR1I2 | |
| SCHEMBL24349584 | 1.00 | TSHR (0.50) | TSHRCSNK1EGRM2SPHK1NR1I2 | |
| SCHEMBL18896281 | 0.98 | TSHR (0.49) | TSHRCSNK1EGRM2SPHK1NR1I2 | |
| SCHEMBL24767617 | 0.98 | TSHR (0.49) | TSHRCSNK1EGRM2SPHK1NR1I2 | |
| SCHEMBL28183514 | 0.93 | TSHR (0.45) | TSHRCSNK1EGRM2CPN1CPB2 | |
| SCHEMBL28710729 | 0.87 | NR1I2 (0.44) | CSNK1ENR1I2HTR2A | |
| SCHEMBL20921369 | 0.86 | TSHR (0.42) | TSHRGRM2NR1I2CPN1CPB2 | |
| SCHEMBL18922904 | 0.85 | CYP3A4 (0.42) | TSHRCPN1CPB2 | |
| SCHEMBL6429607 | 0.85 | TSHR (0.49) | TSHRCSNK1EGRM2SPHK1CPN1 |
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-109942436-A | Method for preparing N, N-dialkyl aniline compound by alkylation of alkyl p-toluenesulfonate | 大连理工大学 | 2019-06-28 | — | — | CN | disclosed |