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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.37 |
| ▸ | FABP7 | O15540 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29393453 | 0.90 | CA1 (0.53) | CA1CA2KMT2AHTR2AEPHX2 | |
| SCHEMBL12719 | 0.90 | CA1 (0.53) | CA1CA2KMT2AHTR2AEPHX2 | |
| Methylene Chloride SCHEMBL28181606 | 0.85 | CA1 (0.49) | CA1CA2KMT2AHTR2AEPHX2 | |
| Dimethylformamide SCHEMBL28264885 | 0.84 | CA1 (0.45) | CA1CA2KMT2AHTR2AEPHX2 | |
| SCHEMBL28202099 | 0.83 | CA1 (0.44) | CA1CA2KMT2AHTR2AEPHX2 | |
| SCHEMBL21843101 | 0.80 | CA1 (0.42) | CA1CA2KMT2AHTR2AEPHX2 | |
| SCHEMBL28081975 | 0.80 | CYP1A2 (0.44) | CA1CA2KMT2AEPHX2CASP3 | |
| SCHEMBL28101345 | 0.79 | CA1 (0.44) | CA1CA2KMT2AHTR2AEPHX2 | |
| SCHEMBL28246095 | 0.78 | KMT2A (0.44) | CA1CA2KMT2AEPHX2CASP3 | |
| SCHEMBL28126451 | 0.78 | CA1 (0.40) | CA1CA2KMT2AHTR2AEPHX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107427497-A | 1,3,4 oxadiazoles and thiadiazole compound as 3 substitutions of immunomodulator | 奥瑞基尼探索技术有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107427476-A | 1,2,4 oxadiazoles and thiadiazole compound as 3 substitutions of immunomodulator | 奥瑞基尼探索技术有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107427477-A | 1,2, 4-oxadiazole and thiadiazole compounds as immunomodulators | 奥瑞基尼探索技术有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107405336-A | 1,3,4 oxadiazoles and thiadiazole compound as immunomodulator | 奥瑞基尼探索技术有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-105813640-A | CYCLIC PEPTIDOMIMETIC COMPOUNDS AS IMMUNOMODULATORS | 奥瑞基尼探索技术有限公司 | 2016-07-27 | — | — | CN | disclosed |