Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12473263 | 0.84 | CES2 (0.35) | CES2CES1TDP1L3MBTL1CYP2D6 | |
| SCHEMBL4082495 | 0.84 | LMNA (0.48) | CES2CES1CYP2D6SRCGABBR2 | |
| SCHEMBL3056242 | 0.82 | GABBR2 (0.53) | CES2CES1L3MBTL1CYP2D6SRC | |
| SCHEMBL11157417 | 0.82 | ESR1 (0.42) | CES2CES1TDP1L3MBTL1GABBR2 | |
| SCHEMBL12473262 | 0.81 | GABBR2 (0.57) | CES2CES1TDP1L3MBTL1CYP2D6 | |
| SCHEMBL9491712 | 0.80 | LMNA (0.43) | CES2CES1L3MBTL1CYP2D6SRC | |
| SCHEMBL28325097 | 0.80 | LMNA (0.50) | L3MBTL1CYP2D6SRCGABBR2GABBR1 | |
| SCHEMBL5787675 | 0.78 | FFAR1 (0.51) | TRPA1ALDH1A1 | |
| SCHEMBL20993379 | 0.78 | GABBR2 (0.46) | CYP2D6SRCGABBR2GABBR1 | |
| SCHEMBL2005344 | 0.78 | FFAR1 (0.51) | TRPA1ALDH1A1 |
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-8963128-B2 | Compound for organic thin film transistor and organic thin film transistor using the same | IDEMITSU KOSAN CO., LTD. (JP) | 2015-02-24 | — | — | US | disclosed |