Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6511540 | 0.88 | HDAC1 (0.46) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6509230 | 0.79 | RXFP1 (0.44) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3053094 | 0.78 | ALDH1A1 (0.60) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6510422 | 0.76 | BACE1 (0.36) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6512097 | 0.76 | HTT (0.43) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6513126 | 0.71 | FFAR1 (0.35) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6510262 | 0.70 | KDM4E (0.33) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3048096 | 0.69 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL15912303 | 0.67 | KDM4E (0.60) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL21341026 | 0.66 | BACE1 (0.46) | ALDH1A1KDM4ECYP1A2CYP3A4HSD17B10 |
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 |