Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24996139 | 0.83 | GPBAR1 (0.34) | ACP1GPBAR1CRHR1NOTUM | |
| SCHEMBL13602321 | 0.82 | PYCR1 (0.39) | ACP1GPBAR1CRHR1NOTUM | |
| SCHEMBL10293004 | 0.81 | PGK1 (0.41) | NOTUMPGK1PGK2ALDH1A1AR | |
| SCHEMBL9094447 | 0.78 | ESR1 (0.35) | CRHR1ESR1ALDH1A1 | |
| SCHEMBL11995380 | 0.76 | PGK1 (0.43) | NOTUMPGK1PGK2ALDH1A1AR | |
| SCHEMBL15958047 | 0.73 | PGK1 (0.50) | NOTUMPGK1PGK2ALDH1A1AR | |
| SCHEMBL725848 | 0.73 | TSHR (0.36) | ESR1 | |
| SCHEMBL26416225 | 0.71 | NOTUM (0.50) | ACP1CRHR1NOTUMESR1AR | |
| Hydrochloric Acid SCHEMBL7930504 | 0.71 | CYP3A4 (0.35) | ESR1 | |
| SCHEMBL30867030 | 0.70 | PGK1 (0.36) | NOTUMPGK1PGK2ALDH1A1AR |
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 |