Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.80 |
| ▸ | CYP17A1 | P05093 | 10/20 | 0.59 |
| ▸ | CYP11B1 | P15538 | 9/20 | 0.59 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL41000 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2674696 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL17337033 | 0.87 | LOXL2 (0.94) | LOXL2CYP3A4HRH3CYP2A6HRH1 | |
| Bromide SCHEMBL28651610 | 0.87 | — | — | |
| Iodide SCHEMBL31192174 | 0.87 | — | — | |
| SCHEMBL13873567 | 0.87 | CYP17A1 (0.65) | LOXL2CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL171386 | 0.85 | LOXL2 (0.64) | LOXL2CYP17A1CYP11B1CYP11B2CYP19A1 | |
| Ammonia Solution, Strong SCHEMBL10492359 | 0.84 | LOXL2 (0.89) | LOXL2CYP17A1CYP11B1CYP11B2CYP19A1 | |
| Ethane SCHEMBL1654462 | 0.84 | LOXL2 (0.89) | LOXL2CYP3A4HRH3CYP2A6HRH1 | |
| SCHEMBL721736 | 0.84 | CYP17A1 (0.61) | LOXL2CYP17A1CYP11B1CYP11B2CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426122-A1 | Methylene urea derivative as RAF kinasse inhibitors | Merck Patent GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |