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 | |
|---|---|---|---|---|
| ▸ | CLTC | Q00610 | 6/20 | 0.39 |
| ▸ | HEXA | P06865 | 3/20 | 0.39 |
| ▸ | HEXB | P07686 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21404284 | 0.99 | CLTC (0.40) | CLTCHEXAHEXBALDH1A1CYP2C9 | |
| SCHEMBL27404612 | 0.98 | CLTC (0.39) | CLTCHEXAHEXBALDH1A1CYP2C9 | |
| SCHEMBL20506114 | 0.82 | HEXA (0.50) | CLTCHEXAHEXBMEN1POLB | |
| SCHEMBL134056 | 0.80 | CLTC (0.34) | CLTCALDH1A1MEN1POLBKMT2A | |
| SCHEMBL14636508 | 0.80 | CLTC (0.51) | CLTCALDH1A1CASP6HSD17B10MEN1 | |
| SCHEMBL21946061 | 0.78 | CLTC (0.36) | CLTCALDH1A1CYP2C9CYP2C19CASP6 | |
| SCHEMBL27429842 | 0.77 | HEXA (0.43) | CLTCHEXAHEXBALDH1A1MEN1 | |
| SCHEMBL16097930 | 0.76 | ALDH1A1 (0.33) | CLTCALDH1A1CYP2C9CYP2C19CASP6 | |
| SCHEMBL1615000 | 0.75 | ALDH1A1 (0.39) | CLTCALDH1A1CYP2C9CYP2C19CASP6 | |
| SCHEMBL170998 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19CASP6HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11371938-B2 | Nanomaterial-based bacterial sensors | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2022-06-28 | — | — | US | claimed |
| US-20200158642-A1 | Nanomaterial-based Bacterial Sensors | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2020-05-21 | — | — | US | claimed |
| US-11371938-B2 | Nanomaterial-based bacterial sensors | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2022-06-28 | — | — | US | disclosed |
| US-20200158642-A1 | Nanomaterial-based Bacterial Sensors | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2020-05-21 | — | — | US | disclosed |