Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL10929319 | 1.00 | ESR1 (0.37) | ESR1CYP2C9AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL8735529 | 0.87 | CYP2C9 (0.43) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL10929457 | 0.84 | CYP2C9 (0.41) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL10929452 | 0.84 | CYP2C9 (0.41) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL10929461 | 0.84 | CYP2C9 (0.41) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL5244532 | 0.84 | CYP2C9 (0.41) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL8635813 | 0.84 | CYP2C9 (0.41) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL10891960 | 0.84 | MAPT (0.41) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL8041161 | 0.83 | FAAH (0.38) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL10927418 | 0.83 | CYP2C9 (0.40) | CYP2C9MAPTALDH1A1LMNAMEN1 |
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-4551264-A | Polyhalogenoaromatic compounds for liquid crystal compositions | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-11-05 | — | — | US | disclosed |