Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NOTCH1 | P46531 | 4/20 | 0.35 |
| ▸ | NOTCH3 | Q9UM47 | 4/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | CCKBR | P32239 | 4/20 | 0.33 |
| ▸ | CCKAR | P32238 | 2/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738908 | 0.84 | KCNH2 (0.45) | KCNH2NOTCH1NOTCH3CCKBRCCKAR | |
| SCHEMBL7744132 | 0.70 | KCNH2 (0.45) | KCNH2NOTCH1NOTCH3CCKBRCCKAR | |
| SCHEMBL7744591 | 0.70 | KCNH2 (0.45) | KCNH2NOTCH1NOTCH3CCKBRCCKAR | |
| SCHEMBL7744135 | 0.69 | KCNH2 (0.72) | KCNH2NOTCH1NOTCH3CCKBRCCKAR | |
| SCHEMBL7744698 | 0.67 | KCNH2 (0.47) | KCNH2GALR3SCN9AFPR2 | |
| SCHEMBL7744588 | 0.66 | CCKBR (0.44) | KCNH2NOTCH1NOTCH3CCKBR | |
| SCHEMBL7744124 | 0.65 | KCNH2 (0.55) | KCNH2CCKBRCCKAR | |
| SCHEMBL7743995 | 0.65 | KCNH2 (0.36) | KCNH2GALR3SCN9ACCKBRCCKAR | |
| SCHEMBL18243407 | 0.60 | PDE2A (0.49) | CYP2C9F7PDE2A | |
| SCHEMBL30428378 | 0.59 | CES2 (0.50) | F7AKR1C3AKR1C2PDE2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001010216-A1 | ANTIARRHYTHMIC COMPOUNDS | MERCK & CO., INC. (US) | 2001-02-15 | — | — | WO | disclosed |