Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.30 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6509952 | 0.83 | AR (0.36) | BACE1KLKB1KDM4EMEN1ALDH1A1 | |
| SCHEMBL6513126 | 0.78 | FFAR1 (0.35) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6511906 | 0.76 | ALDH1A1 (0.40) | KLKB1KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL6510262 | 0.73 | KDM4E (0.33) | BACE1KLKB1KDM4EMEN1ALDH1A1 | |
| SCHEMBL3150946 | 0.73 | CYP3A4 (0.52) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21341026 | 0.72 | BACE1 (0.46) | BACE1KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL28815369 | 0.71 | ALDH1A1 (0.48) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21097451 | 0.70 | GRM5 (0.49) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19590795 | 0.69 | ALOX5AP (0.39) | BACE1KLKB1ALOX5APFEN1 | |
| SCHEMBL9088916 | 0.69 | GRM5 (0.42) | BACE1KDM4EMEN1ALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050101063-A1 | Three-terminal field-controlled molecular devices | TOUR JAMES M (US) | 2005-05-12 | — | — | US | disclosed |
| WO-2002035580-A2 | THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES | MOLECULAR ELECTRONICS CORPORATION (US) | 2002-05-02 | — | — | WO | disclosed |