Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | MET | P08581 | 3/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10195459 | 0.91 | MEN1 (0.46) | MEN1KMT2APOLBHDAC1IRAK4 | |
| SCHEMBL27945259 | 0.87 | MEN1 (0.46) | MEN1KMT2APOLBHDAC1IRAK4 | |
| SCHEMBL9952470 | 0.81 | DHODH (0.42) | POLBDHODHALDH1A1MAPK10 | |
| Tert-Butyl Formate SCHEMBL27945260 | 0.80 | MEN1 (0.44) | MEN1KMT2APOLBHDAC1IRAK4 | |
| SCHEMBL9951918 | 0.77 | HDAC1 (0.41) | MEN1KMT2APOLBHDAC1IRAK4 | |
| SCHEMBL9951836 | 0.71 | GRM1 (0.38) | HDAC1DHODH | |
| SCHEMBL9952385 | 0.71 | JAK2 (0.41) | POLBHDAC1MAPK14METKDM4E | |
| SCHEMBL9951714 | 0.69 | MET (0.41) | MEN1KMT2AHDAC1IRAK4MAPK14 | |
| SCHEMBL10194887 | 0.68 | JAK2 (0.41) | IRAK4MET | |
| SCHEMBL9952464 | 0.68 | GRM1 (0.42) | KMT2APOLBDHODHMAPTKDM4E |
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-2655357-A1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | Merck Serono S.A. (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012084704-A1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO S.A. (CH) | 2012-06-28 | — | — | WO | disclosed |