Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.50 |
| ▸ | NOS1 | P29475 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 3/20 | 0.40 |
| ▸ | HTR1B | P28222 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR1F | P30939 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR1E | P28566 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3546179 | 0.81 | CYP3A4 (0.56) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL5013256 | 0.81 | HTR1D (0.56) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9449013 | 0.81 | NOS3 (0.53) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448919 | 0.81 | SLC6A4 (0.60) | NOS3NOS1SLC6A4HTR1BHTR2A | |
| SCHEMBL9448836 | 0.80 | HTR2A (0.61) | NOS3NOS1SLC6A4HTR1BHTR2A | |
| Hydrochloric Acid SCHEMBL5014962 | 0.80 | HTR1D (0.55) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| Hydrochloric Acid SCHEMBL9449059 | 0.80 | CYP3A4 (0.55) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL4311896 | 0.78 | HTR2C (0.55) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9449146 | 0.78 | NOS3 (0.50) | NOS3NOS1CYP3A4CYP2C19NOS2 | |
| SCHEMBL9448835 | 0.78 | NOS3 (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 |