Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9630131 | 0.85 | TGM2 (0.47) | CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2 | |
| SCHEMBL9515186 | 0.82 | CA2 (0.52) | CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2 | |
| SCHEMBL2456680 | 0.80 | CES1 (0.52) | CES2CES1MAPK1TSHRALDH1A1 | |
| SCHEMBL9339427 | 0.77 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1CA2LMNAGAA | |
| SCHEMBL8656429 | 0.77 | SMN1; SMN2 (0.55) | SMN1; SMN2TSHRALDH1A1TDP1LMNA | |
| SCHEMBL7174072 | 0.74 | KDM4E (0.56) | HSD17B10TSHRTRPA1ALDH1A1CA2 | |
| SCHEMBL14340616 | 0.74 | TRPA1 (0.44) | CES2CES1CYP2D6MAPK1SMN1; SMN2 | |
| SCHEMBL14078090 | 0.74 | CES2 (0.44) | CES2CES1HSD17B10TSHRTRPA1 | |
| SCHEMBL8442271 | 0.73 | CYP3A4 (0.43) | CES2CES1MAPK1HSD17B10SMN1; SMN2 | |
| SCHEMBL20060326 | 0.72 | ALOX5 (0.34) | CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0021636-A1 | Secondary amines, their preparation and use in pharmaceutical compositions | BEECHAM GROUP PLC (GB) | 1981-01-07 | — | — | EP | disclosed |