Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Ethyl 3-Phenylpropanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.63 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.63 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.63 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Ethyl 3-Phenylpropanoate SCHEMBL311047 | 0.98 | TDP1 (0.68) | TDP1KEAP1CYP4F2CYP4A11FFAR1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL27562389 | 0.95 | CYP4F2 (0.66) | TDP1KEAP1CYP4F2CYP4A11FFAR1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL304816 | 0.93 | TDP1 (0.75) | TDP1KEAP1CYP4F2CYP4A11ALOX5 | |
| Ethyl 3-Phenylpropanoate SCHEMBL7440447 | 0.91 | TDP1 (0.72) | TDP1KEAP1CYP4F2CYP4A11ALOX5 | |
| SCHEMBL1587300 | 0.91 | CYP4F2 (0.74) | TDP1KEAP1CYP4F2CYP4A11FFAR1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL9585650 | 0.91 | TDP1 (0.58) | TDP1KEAP1CYP4F2CYP4A11FFAR1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL9586867 | 0.91 | TDP1 (0.58) | TDP1KEAP1CYP4F2CYP4A11FFAR1 | |
| SCHEMBL3175580 | 0.89 | CYP4F2 (0.57) | TDP1KEAP1CYP4F2CYP4A11FFAR1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL28983325 | 0.88 | TDP1 (0.68) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL3322728 | 0.88 | CYP4F2 (0.70) | TDP1CYP4F2CYP4A11ALOX5ABCB1 |
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-5736285-A | PHOTOSENSITIVE LAYER CONTAINS CHARGE TRANSPORTING POLYESTER AND ATLEAST ONE BISAZO PIGMENT; WEAR RESISTANCE AND ELECTRIC STABILITY | FUJI XEROX CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |