Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MDM4 | O15151 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11114239 | 0.83 | CYP3A4 (0.42) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL9623236 | 0.80 | CYP3A4 (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL9835715 | 0.79 | TDP1 (0.39) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL7591507 | 0.76 | CYP3A4 (0.38) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL22815459 | 0.76 | CYP3A4 (0.59) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL5481480 | 0.76 | CYP3A4 (0.45) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL20798330 | 0.72 | CYP3A4 (0.38) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL10945564 | 0.70 | CYP3A4 (0.37) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL112207 | 0.70 | CYP3A4 (0.46) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL19122653 | 0.69 | LMNA (0.44) | CYP3A4ALDH1A1HPGDTDP1TRPA1 |
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-2254889-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | Merck Patent GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | WO | disclosed |