Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9867261 | 0.89 | HRH2 (0.35) | HRH4CYP2D6CYP2C19KMT2ANPSR1 | |
| SCHEMBL10368107 | 0.83 | SCN5A (0.39) | CYP2D6CYP2C9CYP2C19KMT2APOLB | |
| SCHEMBL9866363 | 0.83 | SCN5A (0.39) | CYP2D6CYP2C9CYP2C19KMT2APOLB | |
| SCHEMBL9866179 | 0.83 | HRH2 (0.44) | HRH4HRH3CYP2D6CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL9865309 | 0.82 | HRH2 (0.44) | HRH4HRH3CYP2D6CYP2C19KMT2A | |
| SCHEMBL9866877 | 0.81 | HRH3 (0.35) | HRH4HRH3CYP2D6 | |
| SCHEMBL9866288 | 0.81 | EPHX2 (0.37) | CYP2D6CYP2C9CYP2C19KMT2ANPSR1 | |
| SCHEMBL9867126 | 0.75 | HRH4 (0.47) | HRH4HRH3 | |
| SCHEMBL9866256 | 0.74 | HRH4 (0.47) | HRH4HRH3 | |
| SCHEMBL9864984 | 0.73 | RAB9A (0.42) | CYP2C9CYP2C19KMT2APOLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5021431-A | H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion | HEUMANN PHARMA GMBH & CO. (DE) | 1991-06-04 | — | — | US | disclosed |
| EP-0199845-B1 | IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HEUMANN PHARMA GMBH & CO (DE) | 1990-08-01 | — | — | EP | disclosed |
| EP-0199845-A1 | Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them | HEUMANN PHARMA GMBH & CO (DE) | 1986-11-05 | — | — | EP | disclosed |