Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
| ▸ | RCE1 | Q9Y256 | 2/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696863 | 0.86 | MEN1 (0.37) | MEN1KMT2ATSHRSMN1; SMN2RXFP1 | |
| SCHEMBL4693660 | 0.86 | BDKRB1 (0.34) | MEN1KMT2ATSHRSMN1; SMN2RXFP1 | |
| SCHEMBL6416941 | 0.80 | SMN1; SMN2 (0.37) | MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL6413365 | 0.74 | TSHR (0.40) | MEN1KMT2ATSHRSMN1; SMN2RXFP1 | |
| Hydrochloric Acid SCHEMBL4697561 | 0.69 | SMN1; SMN2 (0.44) | SMN1; SMN2 | |
| SCHEMBL4694686 | 0.69 | CYP1A2 (0.35) | MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL4694575 | 0.68 | CYP1A2 (0.52) | MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL6420748 | 0.65 | CYP1A2 (0.33) | SMN1; SMN2 | |
| SCHEMBL4692851 | 0.64 | CYP1A2 (0.38) | SMN1; SMN2 | |
| SCHEMBL4694902 | 0.64 | CYP1A2 (0.38) | SMN1; SMN2 |
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-1109542-A4 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-03-26 | — | — | EP | 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 |