Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 2/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.33 |
| ▸ | MERTK | Q12866 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.32 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10194746 | 0.85 | PIK3CA (0.38) | RAB9ACNR2CNR1CD274PIK3CA | |
| SCHEMBL15312505 | 0.84 | HRH3 (0.36) | EGFRRAB9AHRH3CNR2CNR1 | |
| SCHEMBL10196860 | 0.84 | CNR2 (0.35) | EGFRRAB9AHRH3CNR2CNR1 | |
| SCHEMBL10196929 | 0.74 | CREBBP (0.39) | EGFRRAB9AAXLTYRO3MERTK | |
| SCHEMBL9952570 | 0.67 | GRM1 (0.40) | RAB9AALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL9951756 | 0.66 | HPGD (0.47) | RAB9ACNR2CNR1PIK3CAALDH1A1 | |
| SCHEMBL9952668 | 0.66 | RAB9A (0.46) | RAB9APIK3CAALDH1A1HPGDKDM4E | |
| SCHEMBL9951883 | 0.65 | RAB9A (0.42) | RAB9APIK3CAALDH1A1HPGDKDM4E | |
| SCHEMBL10194781 | 0.65 | JAK2 (0.49) | LRRK2FLT3PIK3CAALDH1A1HPGD | |
| SCHEMBL10194760 | 0.64 | KMT2A (0.43) | RAB9ALRRK2FLT3PIK3CAALDH1A1 |
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 |