Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6421040 | 0.86 | CYP1A2 (0.35) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL4692899 | 0.76 | CYP1A2 (0.36) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL4696872 | 0.76 | CYP1A2 (0.47) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL6421036 | 0.75 | CYP1A2 (0.47) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL4694902 | 0.70 | CYP1A2 (0.38) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL4696066 | 0.70 | CYP1A2 (0.37) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL4753904 | 0.69 | CYP1A2 (0.36) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL4693927 | 0.68 | ESR1 (0.43) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| Hydrochloric Acid SCHEMBL4697561 | 0.68 | SMN1; SMN2 (0.44) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL4696879 | 0.67 | CYP1A2 (0.64) | CYP1A2ADRA2ACYP2D6PKMADRA2B |
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-6469065-B1 | COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE | NITROMED, INC. | 2002-10-22 | — | — | US | disclosed |