Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Dodecanoate SCHEMBL6915224 | 0.84 | GPR84 (0.53) | CES2CES1NR1I2MEN1KMT2A | |
| Dodecanoate SCHEMBL6915217 | 0.82 | CES2 (0.50) | CES2CES1PTGS2NR1I2 | |
| SCHEMBL29277540 | 0.81 | NR1I2 (0.54) | CES2CES1PTGS2NR1I2ALDH1A1 | |
| Dodecane SCHEMBL10478943 | 0.81 | NR1I2 (0.58) | CES2CES1PTGS2NR1I2EPHX2 | |
| Octane SCHEMBL6565412 | 0.81 | NR1I2 (0.58) | CES2CES1PTGS2NR1I2EPHX2 | |
| Hexadecane SCHEMBL29039924 | 0.81 | NR1I2 (0.58) | CES2CES1PTGS2NR1I2EPHX2 | |
| Cetrimonium SCHEMBL331884 | 0.80 | DNM1 (0.50) | NR1I2MEN1KMT2AHTT | |
| SCHEMBL331150 | 0.80 | DNM1 (0.50) | NR1I2MEN1KMT2AHTT | |
| SCHEMBL331099 | 0.80 | DNM1 (0.50) | NR1I2MEN1KMT2AHTT | |
| SCHEMBL330793 | 0.79 | NR1I2 (0.47) | NR1I2MEN1KMT2AALDH1A1HTT |
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-1138982-A | Rinse-off water-in-oil-in-water compositions | CURTIS HELENE IND INC (US) | 1997-01-01 | — | — | CN | disclosed |