Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | TSHR | P16473 | 7/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17240905 | 0.82 | PIN1 (0.56) | CYP1A2ALDH1A1TSHRCLK4CYP3A4 | |
| SCHEMBL17012535 | 0.80 | CYP1A2 (0.54) | CYP1A2ALDH1A1TSHRCLK4CYP3A4 | |
| SCHEMBL26971403 | 0.80 | CYP1A2 (0.57) | CYP1A2ALDH1A1TSHRCLK4CYP3A4 | |
| SCHEMBL18878379 | 0.78 | RXRA (0.38) | CYP1A2TSHRCYP2C19LMNAL3MBTL1 | |
| SCHEMBL4767499 | 0.73 | CYP1A2 (0.54) | CYP1A2ALDH1A1TSHRCLK4CYP3A4 | |
| SCHEMBL6741566 | 0.72 | L3MBTL1 (0.43) | CYP1A2ALDH1A1TSHRCYP3A4CYP2C19 | |
| SCHEMBL16253514 | 0.72 | LMNA (0.48) | CYP1A2ALDH1A1TSHRCYP2C19LMNA | |
| SCHEMBL16455676 | 0.72 | MAPT (0.47) | LMNAL3MBTL1MAPK1RXRASTAT3 | |
| SCHEMBL28766554 | 0.71 | PIN1 (0.76) | CYP1A2ALDH1A1TSHRCLK4CYP3A4 | |
| SCHEMBL6740837 | 0.71 | L3MBTL1 (0.42) | ALDH1A1TSHRLMNAL3MBTL1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9656970-B2 | 5-(trifluoromethyl)pyrimidine derivatives and method for producing same | TOSOH F-TECH, INC. (JP) | 2017-05-23 | — | — | US | disclosed |