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 | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 5/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL10428431 | 0.91 | PTGS1 (0.52) | PTGS1PTGS2ALOX5PLA2G1BTDP1 | |
| Dimethylamine SCHEMBL10428297 | 0.84 | PTGS1 (0.48) | PTGS1PTGS2ALOX5PLA2G1BTDP1 | |
| Diethylamine SCHEMBL10428417 | 0.83 | ALOX5 (0.70) | PTGS1PTGS2ALOX5HPGDNPC1 | |
| SCHEMBL8082149 | 0.83 | PTGS1 (0.63) | PTGS1PTGS2ALOX5PLA2G1BTDP1 | |
| Diethylamine SCHEMBL10428382 | 0.78 | ALOX5 (0.44) | PTGS1PTGS2ALOX5HPGDNPC1 | |
| Hydrochloric Acid SCHEMBL10428209 | 0.76 | PTGS1 (0.47) | PTGS1PTGS2ALOX5PLA2G1BTDP1 | |
| Hydrochloric Acid SCHEMBL10428430 | 0.76 | PTGS1 (0.49) | PTGS1PTGS2ALOX5PLA2G1BTDP1 | |
| Hydrochloric Acid SCHEMBL10428268 | 0.75 | ALOX5 (0.61) | PTGS1PTGS2ALOX5HPGDNPC1 | |
| Hydrochloric Acid SCHEMBL10428718 | 0.74 | PTGS1 (0.70) | PTGS1PTGS2ALOX5PLA2G1BTDP1 | |
| SCHEMBL10428372 | 0.72 | HPGD (0.54) | PTGS1PTGS2ALOX5PLA2G1BTDP1 |
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-4927835-A | ANTIPYRETICS | NIPPON SHINYAKU CO., LTD. (JP) | 1990-05-22 | — | — | US | disclosed |