Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17826365 | 0.94 | LTA4H (0.70) | LTA4HTAAR1PLA2G2AHRH3CYP19A1 | |
| SCHEMBL9965339 | 0.89 | HRH3 (0.53) | LTA4HTAAR1HRH3KEAP1NFE2L2 | |
| SCHEMBL23799321 | 0.88 | LTA4H (0.49) | LTA4HTAAR1PLA2G2AHRH3SMN1; SMN2 | |
| SCHEMBL13073181 | 0.88 | ITGB3 (0.55) | LTA4HHRH3 | |
| Hydrochloric Acid SCHEMBL17557724 | 0.88 | HRH3 (0.51) | LTA4HHRH3 | |
| SCHEMBL11649743 | 0.86 | HRH3 (0.56) | LTA4HHRH3SMN1; SMN2CYP3A4 | |
| SCHEMBL26961928 | 0.86 | ITGB3 (0.58) | HRH3 | |
| Hydrochloric Acid SCHEMBL29796753 | 0.84 | ITGB3 (0.56) | HRH3 | |
| SCHEMBL16902877 | 0.84 | HRH3 (0.59) | LTA4HHRH3SMN1; SMN2CYP3A4 | |
| SCHEMBL8545935 | 0.84 | HRH3 (0.59) | LTA4HHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117447468-A | Bazedoxifene derivative and preparation method and application thereof | 中国药科大学 | 2024-01-26 | — | — | CN | disclosed |
| US-4873254-A | ADRENERGIC BLOCKING AGENTS OR CALCIUM CHANNEL BLOCKERS; HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-10-10 | — | — | US | disclosed |
| EP-0194751-A1 | Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-09-17 | — | — | EP | disclosed |