Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.68 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.68 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.68 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.68 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9389997 | 0.85 | KCNH2 (0.93) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| SCHEMBL9428189 | 0.83 | KCNH2 (0.68) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| SCHEMBL9428875 | 0.83 | ADRB1 (0.65) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| SCHEMBL9428370 | 0.82 | ADRB1 (0.75) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| SCHEMBL9428374 | 0.82 | ADRB1 (0.75) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| SCHEMBL9384098 | 0.82 | KCNH2 (0.88) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| SCHEMBL9386126 | 0.82 | KCNH2 (0.91) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| SCHEMBL9429589 | 0.82 | ADRB1 (0.75) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| Oxalic Acid SCHEMBL9386654 | 0.81 | KCNH2 (0.86) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 | |
| Nifekalant SCHEMBL157527 | 0.81 | KCNH2 (1.00) | ADRB1SLC6A4SLC22A2KCNH2SLC47A2 |
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-5332739-A | Pyrimidinedione derivatives and antiarrhythmic agents containing same | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-07-26 | — | — | US | disclosed |