Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.52 |
| ▸ | NOS1 | P29475 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448835 | 0.90 | NOS3 (0.55) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448897 | 0.83 | NOS3 (0.54) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448970 | 0.81 | NOS3 (0.52) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL4311896 | 0.78 | HTR2C (0.55) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448872 | 0.78 | NOS3 (0.49) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9449311 | 0.76 | IMPDH2 (0.50) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448887 | 0.75 | NOS3 (0.48) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL3546179 | 0.75 | CYP3A4 (0.56) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448885 | 0.75 | NOS3 (0.46) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| Hydrochloric Acid SCHEMBL9449059 | 0.74 | CYP3A4 (0.55) | NOS3NOS1CYP3A4CYP2C19NOS2 |
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 |