Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | TACR2 | P21452 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SHBG | P04278 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
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 SCHEMBL9841857 | 1.00 | CYP3A4 (0.53) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9841828 | 0.98 | CYP3A4 (0.54) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9841613 | 0.93 | CYP1A2 (0.56) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9841946 | 0.86 | LTA4H (0.54) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9841202 | 0.86 | LTA4H (0.54) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9842040 | 0.86 | LTA4H (0.54) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9841585 | 0.86 | CYP1A2 (0.59) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9841491 | 0.84 | LTA4H (0.55) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9841395 | 0.84 | CHRNB4 (0.54) | CYP3A4HIF1ACYP1A2CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9717314 | 0.84 | KCNH2 (0.69) | CYP3A4HIF1AKCNH2HTR2AALDH1A1 |
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 |