Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 2/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.64 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.64 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | HRH1 | P35367 | 1/20 | 0.64 |
| ▸ | DRD3 | P35462 | 1/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.64 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | BLM | P54132 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4697558 | 0.99 | SMN1; SMN2 (0.65) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| SCHEMBL4696147 | 0.84 | ADRA1D (0.55) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| SCHEMBL5203953 | 0.84 | ADRA1D (0.51) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| SCHEMBL4695767 | 0.84 | ADRA1D (0.71) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| SCHEMBL4692847 | 0.84 | ADRA1D (0.54) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| SCHEMBL4694899 | 0.84 | ADRA1D (0.54) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| SCHEMBL4694575 | 0.83 | CYP1A2 (0.52) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| Hydrochloric Acid SCHEMBL4697561 | 0.83 | SMN1; SMN2 (0.44) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| SCHEMBL4696088 | 0.81 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A | |
| SCHEMBL4694684 | 0.80 | CYP1A2 (0.49) | ADRA1DADRA1AADRA1BCYP1A2ADRA2A |
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 2 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 |
| US-6469065-B1 | COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE | NITROMED, INC. | 2002-10-22 | — | — | US | claimed |