Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16907559 | 0.88 | PDK2 (0.58) | PDK2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL7368693 | 0.86 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2AMCHR1 | |
| SCHEMBL30804747 | 0.85 | TGFBR1 (0.49) | NPC1RAB9AMCHR1GABRA5TGFBR1 | |
| SCHEMBL20460529 | 0.85 | POLB (0.60) | PDK2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL8130980 | 0.83 | POLB (0.62) | PDK2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL25442210 | 0.83 | FASN (0.51) | PDK2NPC1RAB9AMCHR1POLB | |
| SCHEMBL15317731 | 0.83 | MCHR1 (0.52) | PDK2NPC1RAB9AMCHR1HSD11B1 | |
| SCHEMBL14297351 | 0.82 | PDK2 (0.45) | PDK2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL7371040 | 0.81 | MEN1 (0.65) | NPC1RAB9AMEN1KMT2AMCHR1 | |
| SCHEMBL8366263 | 0.81 | MEN1 (0.55) | PDK2NPC1RAB9AMEN1KMT2A |
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 |