Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL916699 | 0.88 | AKR1C3 (0.61) | AKR1C3CA1CA12MMP2MMP9 | |
| Benzylphosphonic Acid SCHEMBL27466353 | 0.82 | CYP1A2 (0.60) | AKR1C3MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL21815480 | 0.78 | AKR1C3 (0.57) | AKR1C3CA1CA12MMP2MMP9 | |
| SCHEMBL11040755 | 0.78 | AKR1C3 (0.61) | AKR1C3CA1CA12MMP2MMP9 | |
| SCHEMBL5203707 | 0.78 | MAPT (0.50) | AKR1C3MAPTCA1ALDH1A1CYP2C19 | |
| P-Nitrophenylphosphate SCHEMBL27876464 | 0.77 | CA1 (0.76) | AKR1C3MAPTCA1ALDH1A1TSHR | |
| Benzylphosphonic Acid SCHEMBL27883473 | 0.76 | ENPP2 (0.47) | ENPP2 | |
| SCHEMBL1803792 | 0.76 | CHRM2 (0.64) | MAPTCA1CA12ALDH1A1TSHR | |
| SCHEMBL8648393 | 0.76 | AKR1C3 (0.59) | AKR1C3CA1CA12MMP2MMP9 | |
| P-Nitrophenol SCHEMBL10880296 | 0.76 | MAPT (0.56) | MAPTALDH1A1CYP2C19TSHRPOLB |
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-102746239-A | Uracil or thymine derivatives for the treatment of hepatitis C | ABBOTT LAB | 2012-10-24 | — | — | CN | disclosed |