Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.34 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.34 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.34 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.34 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2891291 | 0.80 | ALDH1A1 (0.38) | ALDH1A1KDM4EGAACYP1A1CYP1B1 | |
| SCHEMBL1465632 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4EGAACYP1A1CYP1B1 | |
| SCHEMBL2898049 | 0.78 | ALDH1A1 (0.35) | ALDH1A1KDM4EGAACYP19A1POLB | |
| SCHEMBL2891401 | 0.74 | HTT (0.46) | ALDH1A1KDM4EGAAKMT2ASMN1; SMN2 | |
| SCHEMBL2776692 | 0.70 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL30480120 | 0.69 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAACYP1A1CYP1B1 | |
| SCHEMBL2903242 | 0.69 | KCNN4 (0.46) | KDM4ECYP1A2CYP3A4CYP2D6KMT2A | |
| Ammonia Solution, Strong SCHEMBL8634007 | 0.69 | ALDH1A1 (0.52) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL1465845 | 0.66 | ALDH1A1 (0.38) | ALDH1A1TAAR1 | |
| SCHEMBL8634011 | 0.65 | ALDH1A1 (0.48) | ALDH1A1KDM4EGAACYP1A1CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215101-A1 | CATIONIC TRANSITION METAL CATALYSTS | Kanata Chemical Technologies Inc. (CA) | 2010-08-11 | — | — | EP | claimed |
| WO-2009055912-A1 | CATIONIC TRANSITION METAL CATALYSTS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2009-05-07 | — | — | WO | claimed |