Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.41 |
| ▸ | ITGAL | P20701 | 3/20 | 0.41 |
| ▸ | CCR2 | P41597 | 2/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR1E | P28566 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16551861 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2D6TSHRCYP2C19SLC15A2 | |
| SCHEMBL18381307 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2D6TSHRCYP2C19SLC15A2 | |
| SCHEMBL18381283 | 0.82 | SLC6A5 (0.51) | CYP3A4CYP2D6TSHRCYP2C19SLC15A2 | |
| SCHEMBL16364168 | 0.82 | CYP3A4 (0.54) | CYP3A4CYP2D6TSHRCYP2C19SLC15A2 | |
| SCHEMBL28270379 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2D6TSHRCYP2C19SLC15A2 | |
| SCHEMBL28209701 | 0.80 | CYP3A4 (0.55) | CYP3A4LMNASLC7A5 | |
| SCHEMBL24106817 | 0.79 | ALOX5 (0.48) | CYP3A4SLC6A5ITGB2ICAM1ITGAL | |
| SCHEMBL28614792 | 0.79 | ALOX5 (0.48) | CYP3A4SLC6A5ITGB2ICAM1ITGAL | |
| Carnosine SCHEMBL1160796 | 0.78 | SLC15A2 (0.63) | CYP3A4CYP2D6TSHRCYP2C19SLC15A2 | |
| Carnosine SCHEMBL22392772 | 0.78 | SLC15A2 (0.63) | CYP3A4CYP2D6TSHRCYP2C19SLC15A2 |
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-109354638-A | Poly- N-BETA-Alanyl-L-histidine aminoethyl methacrylamide polymer and its synthetic method and application | 南京大学 | 2019-02-19 | — | — | CN | disclosed |