Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.46 |
| ▸ | NOS1 | P29475 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR1F | P30939 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9449214 | 0.91 | NOS3 (0.46) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448872 | 0.85 | NOS3 (0.49) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448887 | 0.82 | NOS3 (0.48) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9449042 | 0.80 | HPGD (0.35) | CHRNA7KDM4EGAAALDH1A1 | |
| SCHEMBL9448885 | 0.80 | NOS3 (0.46) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9449161 | 0.80 | NOS3 (0.46) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448970 | 0.78 | NOS3 (0.52) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9449311 | 0.76 | IMPDH2 (0.50) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448897 | 0.76 | NOS3 (0.54) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9449189 | 0.76 | MCHR1 (0.40) | KDM4EALDH1A1HTR2CHTR6 |
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-5227386-A | INDOLE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-07-13 | — | — | US | disclosed |