Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 15/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 14/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581716 | 0.83 | ADORA3 (0.46) | TP53RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL6579923 | 0.82 | CYP19A1 (0.51) | LMNANFKB1RAB9ANFKB2RELA | |
| SCHEMBL8838303 | 0.75 | HSD17B1 (0.51) | HSD17B1HSD17B2CYP3A4CYP2C9LMNA | |
| SCHEMBL6577273 | 0.73 | CYP1A2 (0.47) | HSD17B1HSD17B2CYP3A4CYP2C9SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6581922 | 0.72 | BLM (0.48) | HSD17B1HSD17B2CYP3A4CYP2C9LMNA | |
| SCHEMBL12871356 | 0.71 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2C9LMNA | |
| SCHEMBL30957406 | 0.70 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP3A4CYP2C9LMNA | |
| SCHEMBL1180791 | 0.68 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2C9LMNA | |
| SCHEMBL2824517 | 0.66 | CHRNB2 (0.61) | CYP3A4 | |
| SCHEMBL1180755 | 0.65 | HSD17B1 (0.74) | HSD17B1HSD17B2TP53RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0737680-B1 | (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds | SOLVAY PHARM GMBH (DE) | 2004-03-03 | — | — | EP | disclosed |
| US-5679699-A | ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS | KALI-CHEMIE PHARMA GMBH (DE) | 1997-10-21 | — | — | US | disclosed |
| EP-0737680-A1 | (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds | Kali-Chemie Pharma GmbH (DE) | 1996-10-16 | — | — | EP | disclosed |
| US-5547967-A | HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT | KALI-CHEMIE PHARMA GMBH (DE) | 1996-08-20 | — | — | US | disclosed |