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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.54 |
| ▸ | HTR6 | P50406 | 4/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3132217 | 0.94 | ACLY (0.60) | ACLYHTR6CNR2CNR1ALDH1A1 | |
| SCHEMBL3146270 | 0.85 | ACLY (0.55) | ACLYHTR6CNR2HPGDTP53 | |
| SCHEMBL3133970 | 0.84 | ACLY (0.54) | ACLYHTR6ALDH1A1POLBLMNA | |
| SCHEMBL3132165 | 0.79 | AKR1C3 (0.50) | ACLYHTR6FLT1FLT4KDR | |
| SCHEMBL3133901 | 0.78 | PLK1 (0.55) | ACLYHTR6EPHX2FLT1FLT4 | |
| SCHEMBL3137579 | 0.78 | FLT1 (0.46) | ACLYHTR6EPHX2FLT1FLT4 | |
| SCHEMBL3141520 | 0.78 | FLT1 (0.47) | ACLYHTR6EPHX2FLT1FLT4 | |
| SCHEMBL3145976 | 0.76 | HDAC1 (0.48) | ACLYHTR6FLT1FLT4KDR | |
| SCHEMBL3131370 | 0.75 | FLT1 (0.47) | ACLYHTR6EPHX2FLT1FLT4 | |
| SCHEMBL22003852 | 0.70 | ACLY (1.00) | ACLY |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118060-A1 | 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY | Novartis AG (CH) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008095908-A1 | 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY | NOVARTIS AG (CH) | 2008-08-14 | — | — | WO | disclosed |