Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.53 |
| ▸ | NOS1 | P29475 | 3/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448919 | 0.84 | SLC6A4 (0.60) | NOS3NOS1OPRM1OPRK1OPRL1 | |
| SCHEMBL5013256 | 0.84 | HTR1D (0.56) | NOS3NOS1SLC6A4CYP3A4CYP2C19 | |
| SCHEMBL3546179 | 0.84 | CYP3A4 (0.56) | NOS3NOS1SLC6A4CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL5014962 | 0.83 | HTR1D (0.55) | NOS3NOS1SLC6A4CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL9449059 | 0.83 | CYP3A4 (0.55) | NOS3NOS1SLC6A4CYP3A4CYP2C19 | |
| SCHEMBL4311896 | 0.81 | HTR2C (0.55) | NOS3NOS1SLC6A4CYP3A4CYP2C19 | |
| SCHEMBL9448835 | 0.81 | NOS3 (0.55) | NOS3NOS1OPRM1OPRK1OPRL1 | |
| SCHEMBL9449146 | 0.81 | NOS3 (0.50) | NOS3NOS1SLC6A4IDO1CYP3A4 | |
| SCHEMBL9449057 | 0.81 | NOS3 (0.50) | NOS3NOS1SLC6A4CYP3A4CYP2C19 | |
| SCHEMBL9448836 | 0.81 | HTR2A (0.61) | NOS3NOS1SLC6A4IDO1HTR1A |
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 |