Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9456743 | 0.84 | CYP1A2 (1.00) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| SCHEMBL7520769 | 0.77 | CYP1A2 (0.77) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| SCHEMBL10957176 | 0.75 | CYP1A2 (0.63) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| SCHEMBL10954298 | 0.75 | CYP1A2 (0.63) | CYP1A2CYP2C19CYP2C9CYP2D6SMN1; SMN2 | |
| SCHEMBL134400 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| Hydrochloric Acid SCHEMBL6232539 | 0.74 | CYP1A2 (0.73) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| SCHEMBL29484446 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| SCHEMBL110689 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| Hydrochloric Acid SCHEMBL11572335 | 0.73 | CYP1A2 (0.61) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| SCHEMBL10952426 | 0.73 | CYP1A2 (1.00) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD |
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 |