Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15317765 | 0.85 | PDE4B (0.41) | PDE4BESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL10194702 | 0.79 | KDM4E (0.52) | KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL17850432 | 0.78 | MET (0.54) | MEN1KMT2ATP53HTT | |
| SCHEMBL11402474 | 0.78 | MEN1 (0.52) | KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL7036876 | 0.77 | PDE4B (0.51) | PDE4BKDM4ESMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL24035608 | 0.76 | MEN1 (0.52) | KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL4054492 | 0.72 | HTT (0.62) | KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL4054250 | 0.71 | KDM4E (0.55) | PDE4BKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL4061176 | 0.71 | MAPT (0.52) | KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1 | |
| Bromide SCHEMBL5751833 | 0.71 | HTT (0.61) | KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1 |
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-B1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO SA (CH) | 2016-06-22 | — | — | EP | disclosed |
| WO-2012084704-A1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO S.A. (CH) | 2012-06-28 | — | — | WO | disclosed |