Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Nifekalant. 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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 4/20 | 0.88 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.88 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.88 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.88 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.88 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.88 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Nifekalant SCHEMBL157527 | 0.94 | KCNH2 (1.00) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| Nifekalant SCHEMBL243693 | 0.93 | KCNH2 (0.98) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| Nifekalant SCHEMBL1649642 | 0.92 | KCNH2 (0.96) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| SCHEMBL9386021 | 0.91 | KCNH2 (0.94) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| Oxalic Acid SCHEMBL9386654 | 0.91 | KCNH2 (0.86) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| SCHEMBL9389997 | 0.90 | KCNH2 (0.93) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| SCHEMBL9386126 | 0.89 | KCNH2 (0.91) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| SCHEMBL9388704 | 0.88 | KCNH2 (0.89) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| SCHEMBL9384098 | 0.88 | KCNH2 (0.88) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 | |
| SCHEMBL9388202 | 0.87 | KCNH2 (0.86) | KCNH2SLC22A2ADRB1SLC6A4SLC47A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0369627-A2 | Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-05-23 | — | — | EP | disclosed |