Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.60 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.60 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.60 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.60 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9428776 | 0.96 | TAAR1 (0.62) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| SCHEMBL9429027 | 0.92 | TAAR1 (0.66) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| SCHEMBL9429589 | 0.89 | ADRB1 (0.75) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| Oxalic Acid SCHEMBL9428952 | 0.86 | SLC22A2 (0.71) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| SCHEMBL9428875 | 0.86 | ADRB1 (0.65) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| SCHEMBL9428809 | 0.86 | ADRB1 (0.71) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| SCHEMBL10430123 | 0.86 | KCNH2 (0.68) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| SCHEMBL10430097 | 0.85 | KCNH2 (0.82) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| Hydrochloric Acid SCHEMBL10430221 | 0.85 | KCNH2 (0.67) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 | |
| SCHEMBL9428960 | 0.84 | ADRB1 (0.58) | TAAR1KCNH2SLC6A4ADRB1SLC22A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0697407-B1 | Pyrimidinedione derivatives and antiarrhythmic compositions containing same | MITSUI TOATSU CHEMICALS (JP) | 1997-06-25 | — | — | EP | disclosed |
| EP-0697407-A1 | Pyrimidinedione derivatives and antiarrhythmic compositions containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-02-21 | — | — | EP | disclosed |
| US-5332739-A | Pyrimidinedione derivatives and antiarrhythmic agents containing same | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-07-26 | — | — | US | disclosed |
| EP-0454498-A2 | Pyrimidinedione derivatives and antiarrhythmic agents containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-10-30 | — | — | EP | disclosed |