Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HMGCR | P04035 | 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 | |
|---|---|---|---|---|
| SCHEMBL4696879 | 0.80 | CYP1A2 (0.64) | ESR1KDM4ECHRNA4ADRA1DADRA1A | |
| SCHEMBL5207072 | 0.75 | ADRA1D (0.65) | ESR1KDM4ECHRNA4ADRA1DADRA1A | |
| SCHEMBL25329688 | 0.74 | ESR1 (0.40) | ESR1KDM4ESMN1; SMN2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL29711062 | 0.73 | SMN1; SMN2 (0.66) | ESR1KDM4ECHRNA4ADRA1DADRA1A | |
| SCHEMBL6416957 | 0.73 | CYP1A2 (0.47) | ESR1KDM4ECHRNA4ADRA1DADRA1A | |
| SCHEMBL4696872 | 0.73 | CYP1A2 (0.47) | ESR1KDM4ECHRNA4ADRA1DADRA1A | |
| SCHEMBL4695768 | 0.73 | CYP1A2 (0.47) | ESR1KDM4ECHRNA4ADRA1DADRA1A | |
| SCHEMBL25328003 | 0.73 | ESR1 (0.49) | ESR1 | |
| SCHEMBL17147252 | 0.73 | KDM4E (0.62) | ESR1KDM4ECHRNA4ADRA1DADRA1A | |
| SCHEMBL23387419 | 0.71 | HMGCR (0.45) | ESR1KDM4ECYP1A2CYP2D6PKM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050187222-A1 | Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds | NITROMED, INC. (US) | 2005-08-25 | — | — | 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-1018879-A4 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED INC (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1018879-A1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES | Nitromed, Inc. (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1997027749-A1 | NITROSATED AND NITROSYLATED α-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED, INC. (US) | 1997-08-07 | — | — | 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 | ESR1 491/4885KDM4E 2810/4885CHRNA4 38/4885 |
| US-20020143007-A1 | Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use | ADRB1, ADRB3, ADRA1D | ESR1 686/4885KDM4E 2640/4885CHRNA4 36/4885 |
“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.