Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Ethylenediamine. 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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 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 | |
|---|---|---|---|---|
| SCHEMBL19198172 | 0.95 | SIGMAR1 (0.42) | SIGMAR1CYP2D6LMNACYP1A2GSR | |
| Putrescine SCHEMBL19198229 | 0.95 | GSR (0.44) | SIGMAR1CYP2D6LMNACYP1A2GSR | |
| SCHEMBL17102940 | 0.91 | SIGMAR1 (0.50) | SIGMAR1CYP2D6LMNACYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28600382 | 0.89 | SIGMAR1 (0.48) | SIGMAR1CYP2D6LMNACYP1A2ALDH1A1 | |
| Water SCHEMBL28622482 | 0.89 | SIGMAR1 (0.48) | SIGMAR1CYP2D6LMNACYP1A2ALDH1A1 | |
| SCHEMBL19197984 | 0.85 | SIGMAR1 (0.40) | SIGMAR1CYP2D6LMNACYP1A2ALDH1A1 | |
| SCHEMBL15710769 | 0.85 | SIGMAR1 (0.42) | SIGMAR1CYP2D6LMNACYP1A2ALDH1A1 | |
| SCHEMBL19197827 | 0.83 | SIGMAR1 (0.39) | SIGMAR1CYP2D6LMNACYP1A2ALDH1A1 | |
| SCHEMBL15711008 | 0.83 | SIGMAR1 (0.41) | SIGMAR1CYP2D6LMNACYP1A2ALDH1A1 | |
| SCHEMBL30131273 | 0.82 | SIGMAR1 (0.43) | SIGMAR1CYP2D6LMNACYP1A2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9725477-B2 | Platinum compounds of malonic acid derivative having leaving group containing amino or alkylamino | BEIJING FSWELCOME TECHNOLOGY DEVELOPMENT CO., LTD (CN) | 2017-08-08 | — | — | US | claimed |
| EP-2924044-B1 | PLATINUM COMPOUND OF MALONIC ACID DERIVATIVE HAVING LEAVING GROUP CONTAINING AMINO OR ALKYLAMINO | BEIJING SHUOBAI PHARMACEUTICAL CO LTD (CN) | 2018-10-31 | — | — | EP | disclosed |
| US-9725477-B2 | Platinum compounds of malonic acid derivative having leaving group containing amino or alkylamino | BEIJING FSWELCOME TECHNOLOGY DEVELOPMENT CO., LTD (CN) | 2017-08-08 | — | — | US | disclosed |