Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 5/20 | 0.38 |
| ▸ | SAT1 | P21673 | 3/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12473129 | 0.81 | CYP2C19 (0.50) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL19465910 | 0.80 | MEN1 (0.31) | CYP2C19MEN1GLAKMT2A | |
| SCHEMBL3914208 | 0.79 | CYP2C19 (0.48) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL17780276 | 0.76 | — | — | |
| SCHEMBL22722087 | 0.75 | CYP2C19 (0.55) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL3914213 | 0.74 | CYP2C19 (0.48) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL26399374 | 0.74 | CYP2C19 (0.52) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL918515 | 0.74 | CYP2C19 (0.52) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| Ammonia Solution, Strong SCHEMBL18796810 | 0.73 | CYP2C19 (0.50) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL16254661 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016081679-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-05-26 | — | — | WO | disclosed |