Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16736744 | 0.82 | LMNA (0.43) | LMNAADRA1AADRA1DADRA1BACHE | |
| SCHEMBL10671724 | 0.79 | GAA (0.42) | LMNAADRA1AADRA1DADRA1BACHE | |
| SCHEMBL11339701 | 0.77 | ACHE (0.42) | LMNAADRA1AADRA1DADRA1BACHE | |
| SCHEMBL28344355 | 0.74 | ADRA1D (0.47) | LMNAADRA1AADRA1DADRA1BACHE | |
| SCHEMBL5207072 | 0.73 | ADRA1D (0.65) | LMNAADRA1AADRA1DADRA1BACHE | |
| SCHEMBL16736803 | 0.72 | ACHE (0.44) | LMNAADRA1AADRA1DADRA1BACHE | |
| Hydrochloric Acid SCHEMBL29711062 | 0.72 | SMN1; SMN2 (0.66) | ADRA1AADRA1DADRA1BACHEGAA | |
| Methylamine SCHEMBL11339729 | 0.71 | ADRA1D (0.48) | LMNAADRA1AADRA1DADRA1BACHE | |
| SCHEMBL16748338 | 0.71 | ADRA1A (0.48) | LMNAADRA1AADRA1DADRA1BACHE | |
| SCHEMBL16736699 | 0.71 | ACHE (0.40) | LMNAADRA1AADRA1DADRA1BACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1018879-B1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED INC (US) | 2007-08-01 | — | — | EP | claimed |
| JP-57098243-A | — | — | None | — | — | JP | disclosed |
| JP-S5798243-A | PREPARATION OF 5-(N-METHYLAMINOETHOXY)CARVACROL | FUJIREBIO INC | 1982-06-18 | — | — | JP | disclosed |