Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALPG | P10696 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9867335 | 0.88 | EPHX2 (0.35) | SMN1; SMN2LMNAALDH1A1HPGDDAO | |
| SCHEMBL9868517 | 0.88 | KMT2A (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9866034 | 0.88 | ALDH1A1 (0.45) | SMN1; SMN2HTTLMNAALDH1A1HPGD | |
| SCHEMBL9865256 | 0.85 | ALDH1A1 (0.45) | SMN1; SMN2HTTLMNAALDH1A1GAA | |
| SCHEMBL7180733 | 0.84 | LMNA (0.37) | CYP1A2SMN1; SMN2HTTLMNAALDH1A1 | |
| SCHEMBL9867267 | 0.83 | LMNA (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9865647 | 0.83 | GAA (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL9864976 | 0.83 | KMT2A (0.36) | SMN1; SMN2HTTALDH1A1HPGD | |
| SCHEMBL7174490 | 0.82 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL9876542 | 0.82 | HRH4 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 |
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 2 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-A1 | Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them | HEUMANN PHARMA GMBH & CO (DE) | 1986-11-05 | — | — | EP | disclosed |