Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | ACR | P10323 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 SCHEMBL9842061 | 0.93 | CYP2C9 (0.49) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL10938649 | 0.93 | CYP2C9 (0.66) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL10898816 | 0.93 | CYP2C9 (0.66) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| Fluoride SCHEMBL9841471 | 0.91 | CYP2C9 (0.47) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| Fluoride SCHEMBL9841706 | 0.91 | CYP2C9 (0.47) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| Fluoride SCHEMBL9842113 | 0.91 | CYP2C9 (0.47) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| Fluoride SCHEMBL9841475 | 0.90 | CYP2C9 (0.44) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL1532033 | 0.88 | CYP2C9 (0.60) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL12736720 | 0.88 | CYP2C9 (0.60) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL11406369 | 0.88 | CYP2C9 (0.60) | CYP2C9MAPTLMNAALDH1A1KMT2A |
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 |