Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.51 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.51 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9841505 | 1.00 | HRH3 (0.57) | HRH3ALDH1A1LMNACYP3A4MEN1 | |
| Fluoride SCHEMBL9841864 | 1.00 | HRH3 (0.57) | HRH3ALDH1A1LMNACYP3A4MEN1 | |
| Fluoride SCHEMBL9841357 | 0.98 | HRH3 (0.58) | HRH3ALDH1A1LMNACYP3A4MEN1 | |
| Fluoride SCHEMBL9841773 | 0.94 | HRH3 (0.52) | HRH3ALDH1A1LMNACYP3A4MEN1 | |
| Fluoride SCHEMBL9841761 | 0.89 | NR5A1 (0.57) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| Fluoride SCHEMBL9841296 | 0.89 | NR5A1 (0.57) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| Fluoride SCHEMBL9841299 | 0.87 | NR5A1 (0.54) | HRH3TP53LTA4H | |
| Fluoride SCHEMBL9841526 | 0.87 | HRH3 (0.48) | HRH3BCHELTA4HEPHX2 | |
| Fluoride SCHEMBL9841619 | 0.87 | APP (0.49) | SMN1; SMN2KDM4EHIF1ALTA4H | |
| SCHEMBL10339674 | 0.85 | HRH3 (0.61) | HRH3ALDH1A1LMNACYP3A4MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5055223-A | For use in liquid crystal display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-10-08 | — | — | US | disclosed |