Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 4/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693927 | 0.89 | ESR1 (0.43) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL6416957 | 0.86 | CYP1A2 (0.47) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL4751630 | 0.85 | HRH1 (0.61) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL4749851 | 0.78 | CYP1A2 (0.39) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL4696879 | 0.76 | CYP1A2 (0.64) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL4696872 | 0.76 | CYP1A2 (0.47) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL4695768 | 0.74 | CYP1A2 (0.47) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL4696149 | 0.74 | CYP1A2 (0.38) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL4693925 | 0.74 | HRH1 (0.61) | HRH1CYP1A2ADRA2ACYP2D6PKM | |
| SCHEMBL4692851 | 0.73 | CYP1A2 (0.38) | HRH1CYP1A2ADRA2ACYP2D6PKM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109542-A4 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-03-26 | — | — | EP | disclosed |
| US-20050187222-A1 | Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds | NITROMED, INC. (US) | 2005-08-25 | — | — | US | disclosed |
| US-6469065-B1 | COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE | NITROMED, INC. | 2002-10-22 | — | — | US | disclosed |
| US-20020143007-A1 | Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use | GARVEY DAVID S (US) | 2002-10-03 | — | — | US | disclosed |
| EP-1109542-A1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000012075-A1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-03-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050187222-A1 | Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds | ADRB1, ADRB3, ADRA1D | HRH1 548/4885CYP1A2 284/4885ADRA2A 11/4885 |
| US-20020143007-A1 | Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use | ADRB1, ADRB3, ADRA1D | HRH1 720/4885CYP1A2 363/4885ADRA2A 12/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.