Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.80 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.66 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.63 |
| ▸ | DRD3 | P35462 | 4/20 | 0.63 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.63 |
| ▸ | DRD1 | P21728 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.63 |
| ▸ | DRD2 | P14416 | 3/20 | 0.60 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL27346050 | 1.00 | KCNH2 (0.80) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| SCHEMBL8574069 | 1.00 | KCNH2 (0.80) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| Hydrochloric Acid SCHEMBL27862602 | 0.98 | KCNH2 (0.77) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| Bromide SCHEMBL27738131 | 0.98 | KCNH2 (0.77) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| Bromide SCHEMBL8406733 | 0.96 | KCNH2 (0.81) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| SCHEMBL29107066 | 0.96 | KCNH2 (0.86) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| SCHEMBL11134742 | 0.96 | KCNH2 (0.86) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| SCHEMBL11135856 | 0.96 | KCNH2 (0.86) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| SCHEMBL11237058 | 0.96 | KCNH2 (0.86) | KCNH2SIGMAR1OPRM1DRD3CHRM2 | |
| Bromide SCHEMBL8402934 | 0.94 | KCNH2 (0.83) | KCNH2SIGMAR1OPRM1DRD3CHRM2 |
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-5705674-A | Process for preparing ortho-nitrobenzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | disclosed |