Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6513126 | 0.79 | FFAR1 (0.35) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29471995 | 0.78 | BACE1 (0.40) | CYP2D6BACE1GRM5 | |
| SCHEMBL22531721 | 0.78 | BACE1 (0.40) | CYP2D6BACE1GRM5 | |
| SCHEMBL6510422 | 0.73 | BACE1 (0.36) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL18015337 | 0.71 | LDHA (0.45) | — | |
| SCHEMBL6511906 | 0.70 | ALDH1A1 (0.40) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL2322584 | 0.69 | MCHR1 (0.45) | MEN1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL21097451 | 0.68 | GRM5 (0.49) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19453039 | 0.68 | HCAR2 (0.34) | ESR2GRM5 | |
| SCHEMBL9088916 | 0.67 | GRM5 (0.42) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 |
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 |